2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzamide

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzamide Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoylamino]benzamide CAS Name: 2-[[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]amino]benzamide IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide Traditional Name: 2-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoylamino]benzamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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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=C3C(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C18H20N6O4/c1-22-16-14(17(27)23(2)18(22)28)24(10-20-16)9-5-8-13(25)21-12-7-4-3-6-11(12)15(19)26/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,19,26)(H,21,25)