2-[2-[[7-ethanoyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzimidazol-2-yl]guanidine

Systemtic Name: 2-[2-[[7-ethanoyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzimidazol-2-yl]guanidine Openeye Name: 2-[2-[(7-acetyl-3-methyl-2,6-dioxo-purin-1-yl)methyl]benzimidazol-2-yl]guanidine CAS Name: 2-[2-[(7-acetyl-3-methyl-2,6-dioxo-1-purinyl)methyl]-2-benzimidazolyl]guanidine IUPAC Name: 2-[2-[(7-acetyl-3-methyl-2,6-dioxopurin-1-yl)methyl]benzimidazol-2-yl]guanidine Traditional Name: 2-[2-[(7-acetyl-2,6-diketo-3-methyl-purin-1-yl)methyl]benzimidazol-2-yl]guanidine Formula: C17H17N9O3 MolecularWeight: 395.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CC3(N=C4C=CC=CC4=N3)N=C(N)N

Isomeric SMILES

CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CC3(N=C4C=CC=CC4=N3)N=C(N)N

InChI

InChI=1S/C17H17N9O3/c1-9(27)26-8-20-13-12(26)14(28)25(16(29)24(13)2)7-17(23-15(18)19)21-10-5-3-4-6-11(10)22-17/h3-6,8H,7H2,1-2H3,(H4,18,19,23)