N-phenyl-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-propanamide

Systemtic Name: N-phenyl-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-propanamide Openeye Name: N-phenyl-3-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-propanamide CAS Name: N-phenyl-3-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]propanamide IUPAC Name: N-phenyl-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropanamide Traditional Name: 3-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]-N-phenyl-propionamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O3S/c1-20-14-13(15(24)22(3)17(25)21(14)2)19-16(20)26-10-9-12(23)18-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,23)