2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-piperidinophenyl)acetamide Formula: C20H23ClN6O3 MolecularWeight: 430.88802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C20H23ClN6O3/c1-24-17-16(18(29)25(2)20(24)30)27(19(21)23-17)12-15(28)22-13-6-8-14(9-7-13)26-10-4-3-5-11-26/h6-9H,3-5,10-12H2,1-2H3,(H,22,28)