2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-phenethyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-phenethyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-phenethyl-N-(2-thienylmethyl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-phenethyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-phenethyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-phenethyl-N-(2-thenyl)acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H23N5O3S/c1-24-15-23-20-19(24)21(29)27(22(30)25(20)2)14-18(28)26(13-17-9-6-12-31-17)11-10-16-7-4-3-5-8-16/h3-9,12,15H,10-11,13-14H2,1-2H3