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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H23N5O3S/c1-5-11-25-16-17(23(3)20(28)24(4)18(16)27)22-19(25)29-12-15(26)21-14-10-8-7-9-13(14)6-2/h5,7-10H,1,6,11-12H2,2-4H3,(H,21,26)