2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-thioxo-9H-purin-7-yl)-N-isopropyl-N-phenyl-acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-thioxo-9H-purin-7-yl)-N-isopropyl-N-phenyl-acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H21N5O3S/c1-11(2)23(12-8-6-5-7-9-12)13(24)10-22-14-15(19-17(22)27)20(3)18(26)21(4)16(14)25/h5-9,11H,10H2,1-4H3,(H,19,27)