2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C15H18N6O3S/c1-7-4-5-10(21(23)24)13(8(7)2)20-14(22)9(3)25-15-18-11(16)6-12(17)19-15/h4-6,9H,1-3H3,(H,20,22)(H4,16,17,18,19)