4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzamide Openeye Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4,6-diamino-2-pyrimidinyl)thio]-3-nitrobenzamide IUPAC Name: 4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(4,6-diaminopyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C11H10N6O3S MolecularWeight: 306.3005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C11H10N6O3S/c12-8-4-9(13)16-11(15-8)21-7-2-1-5(10(14)18)3-6(7)17(19)20/h1-4H,(H2,14,18)(H4,12,13,15,16)