2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C20H23N5O3S/c1-6-7-25-16-17(23(4)20(28)24(5)18(16)27)22-19(25)29-11-15(26)21-14-9-12(2)8-13(3)10-14/h6,8-10H,1,7,11H2,2-5H3,(H,21,26)