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

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(1-cyclohexenyl)-N-cyclopropylacetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(C3CC3)C4=CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(C3CC3)C4=CCCCC4

InChI

InChI=1S/C18H22ClN5O3/c1-21-15-14(16(26)22(2)18(21)27)23(17(19)20-15)10-13(25)24(12-8-9-12)11-6-4-3-5-7-11/h6,12H,3-5,7-10H2,1-2H3