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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-phenylpropyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenylpropyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-phenylpropyl)acetamide Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C18H20ClN5O3/c1-22-15-14(16(26)23(2)18(22)27)24(17(19)21-15)11-13(25)20-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,20,25)