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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)OC)CC=C

InChI

InChI=1S/C19H21N5O4S/c1-5-9-24-15-16(22(2)19(27)23(3)17(15)26)21-18(24)29-11-14(25)20-12-7-6-8-13(10-12)28-4/h5-8,10H,1,9,11H2,2-4H3,(H,20,25)