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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-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)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

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