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

Systemtic Name: N-cyclopropyl-3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoylamino]benzamide CAS Name: N-cyclopropyl-3-[[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide Traditional Name: N-cyclopropyl-3-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoylamino]benzamide Formula: C21H24N6O4 MolecularWeight: 424.45306

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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)C(=O)NC4CC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H24N6O4/c1-25-18-17(20(30)26(2)21(25)31)27(12-22-18)10-4-7-16(28)23-15-6-3-5-13(11-15)19(29)24-14-8-9-14/h3,5-6,11-12,14H,4,7-10H2,1-2H3,(H,23,28)(H,24,29)