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

Systemtic Name: 4-carbamimidoyl-N-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl]benzamide Openeye Name: 4-carbamimidoyl-N-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]benzamide CAS Name: 4-carbamimidoyl-N-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]benzamide IUPAC Name: 4-carbamimidoyl-N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]benzamide Traditional Name: 4-amidino-N-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]benzamide Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H17N7O4/c1-22-14-12(16(27)23(2)17(22)28)24(8-20-14)7-11(25)21-15(26)10-5-3-9(4-6-10)13(18)19/h3-6,8H,7H2,1-2H3,(H3,18,19)(H,21,25,26)