1-[4-[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-(2-amino-1-benzimidazolyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C4=CC=CC=C4N=C3N

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C4=CC=CC=C4N=C3N

InChI

InChI=1S/C18H21N7O/c1-13(26)23-7-4-8-24(10-9-23)16-11-17(21-12-20-16)25-15-6-3-2-5-14(15)22-18(25)19/h2-3,5-6,11-12H,4,7-10H2,1H3,(H2,19,22)