N-(3-chlorophenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide

Systemtic Name: N-(3-chlorophenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(3-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(3-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(3-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(3-chlorophenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O3/c1-21-15-14(16(25)22(2)17(21)26)23(10-19-15)8-4-7-13(24)20-12-6-3-5-11(18)9-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,20,24)