N-(3-chloranyl-2-methyl-phenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]acetamide Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C20H16ClN5O2S/c1-12-14(21)8-5-9-15(12)24-16(27)10-29-20-25-17-18(22-11-23-19(17)28)26(20)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,24,27)(H,22,23,28)