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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-benzyl-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3/c1-21-16-15(17(25)22(2)18(21)26)23(12-20-16)10-6-9-14(24)19-11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,24)