4-(4-methylphenyl)sulfanyl-3-nitro-N-(7H-purin-6-yl)benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-(7H-purin-6-yl)benzamide Openeye Name: 3-nitro-4-(p-tolylsulfanyl)-N-(7H-purin-6-yl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-(7H-purin-6-yl)benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-(7H-purin-6-yl)benzamide Traditional Name: 3-nitro-4-(p-tolylthio)-N-(7H-purin-6-yl)benzamide Formula: C19H14N6O3S MolecularWeight: 406.41786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=NC=NC4=C3NC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=NC=NC4=C3NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O3S/c1-11-2-5-13(6-3-11)29-15-7-4-12(8-14(15)25(27)28)19(26)24-18-16-17(21-9-20-16)22-10-23-18/h2-10H,1H3,(H2,20,21,22,23,24,26)