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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S/c1-4-10-23-14-15(21(2)18(26)22(3)16(14)25)20-17(23)27-11-13(24)19-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,19,24)