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

Systemtic Name: 3-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]benzamide Openeye Name: 3-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoylamino]benzamide CAS Name: 3-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]amino]benzamide IUPAC Name: 3-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoylamino]benzamide Traditional Name: 3-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoylamino]benzamide Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O4/c1-21-15-13(16(26)22(2)17(21)27)23(9-19-15)7-6-12(24)20-11-5-3-4-10(8-11)14(18)25/h3-5,8-9H,6-7H2,1-2H3,(H2,18,25)(H,20,24)