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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(1-pyridin-2-ylethyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[1-(2-pyridyl)ethyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[1-(2-pyridinyl)ethyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-pyridin-2-ylethyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[1-(2-pyridyl)ethyl]butyramide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H22N6O3/c1-12(13-7-4-5-9-19-13)21-14(25)8-6-10-24-11-20-16-15(24)17(26)23(3)18(27)22(16)2/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,21,25)