2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-N-[2-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[2-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-(2-piperidinophenyl)acetamide Formula: C23H30N6O3S MolecularWeight: 470.5877

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H30N6O3S/c1-4-12-29-19-20(26(2)23(32)27(3)21(19)31)25-22(29)33-15-18(30)24-16-10-6-7-11-17(16)28-13-8-5-9-14-28/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,24,30)