RME
N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine
Created: | 2011-07-20 |
Last modified: | 2011-07-20 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 48 |
Chiral Atom Count | 0 |
Bond Count | 50 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine |
Synonyms | ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine |
Systematic Name (OpenEye OEToolkits) | ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine |
Formula | C17 H22 N6 O3 |
Molecular Weight | 358.395 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+]([O-])=O)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-] |
Canonical SMILES | CACTVS | 3.385 | Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+]([O-])=O)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C17H22N6O3/c1-13-4-5-18-16(12-13)20-15-3-2-14(23(24)25)17(21-15)19-6-7-22-8-10-26-11-9-22/h2-5,12H,6-11H2,1H3,(H2,18,19,20,21) |
InChIKey | InChI | 1.03 | OAEWOLLUOVFYIT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155804527 |