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

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-3-nitro-benzamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H12N6O3S/c13-9-4-10(14)17-12(16-9)22-5-7-2-1-6(11(15)19)3-8(7)18(20)21/h1-4H,5H2,(H2,15,19)(H4,13,14,16,17)