090

N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE

Created:	2006-10-19
Last modified:	2020-05-26

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3 entries where 090 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	21

2D diagram of 090

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Chemical Component Summary
Name	N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE
Synonyms	N-(7,8-DIMETHOXY-1,8-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)NICOTINAMIDE; PIK-90
Systematic Name (OpenEye OEToolkits)	N-(7,8-dimethoxy-1H-imidazo[1,2-c]quinazolin-4-ium-5-yl)pyridine-3-carboxamide
Formula	C₁₈ H₁₆ N₅ O₃
Molecular Weight	350.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cccnc1)Nc3nc2c(OC)c(OC)ccc2c4[n+]3ccn4
SMILES	CACTVS	3.341	COc1ccc2c3[nH]cc[n+]3c(NC(=O)c4cccnc4)nc2c1OC
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4
Canonical SMILES	CACTVS	3.341	COc1ccc2c3[nH]cc[n+]3c(NC(=O)c4cccnc4)nc2c1OC
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4
InChI	InChI	1.03	InChI=1S/C18H15N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-10H,1-2H3,(H,20,21,22,24)/p+1
InChIKey	InChI	1.03	GLZPAFCYKOIQQZ-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	6852166

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