0MI

1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Created: 2021-06-14
Last modified:  2021-09-08

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count3
Bond Count34
Aromatic Bond Count0
2D diagram of 0MI
Toggle HydrogenToggle Labels

Chemical Component Summary

Name1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
FormulaC10 H14 N5 O4
Molecular Weight268.249
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC1=CN([CH]2C[CH](O)[CH](CN=[N]=N)O2)C(=O)NC1=O
SMILESOpenEye OEToolkits2.0.7CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN=[N]=N)O
Canonical SMILESCACTVS3.385 CC1=CN([C@H]2C[C@H](O)[C@@H](CN=[N]=N)O2)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O
InChIInChI1.03 InChI=1S/C10H14N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,11,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1
InChIKeyInChI1.03 WPGIPVMLNBRRLK-XLPZGREQSA-N