4-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-3-nitro-benzamide Formula: C13H10N6O3S MolecularWeight: 330.3219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N6O3S/c14-4-9-5-17-13(18-11(9)15)23-6-8-2-1-7(12(16)20)3-10(8)19(21)22/h1-3,5H,6H2,(H2,16,20)(H2,15,17,18)