N-(2-bromanyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C19H22BrN5O3S MolecularWeight: 480.37868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)Br

InChI

InChI=1S/C19H22BrN5O3S/c1-10(2)25-15-16(23(4)19(28)24(5)17(15)27)22-18(25)29-9-14(26)21-13-7-6-11(3)8-12(13)20/h6-8,10H,9H2,1-5H3,(H,21,26)