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

Systemtic Name: 4-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzamide Openeye Name: 4-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoylamino]benzamide CAS Name: 4-[[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]amino]benzamide IUPAC Name: 4-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide Traditional Name: 4-[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=C(C=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O4/c1-22-16-14(17(27)23(2)18(22)28)24(10-20-16)9-3-4-13(25)21-12-7-5-11(6-8-12)15(19)26/h5-8,10H,3-4,9H2,1-2H3,(H2,19,26)(H,21,25)