1-[(2R,6S)-4-[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl]ethanone

Systemtic Name: 1-[(2R,6S)-4-[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl]ethanone Openeye Name: 1-[(2R,6S)-4-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl]ethanone CAS Name: 1-[(2R,6S)-4-[6-(2-amino-1-benzimidazolyl)-4-pyrimidinyl]-2,6-dimethyl-1-piperazinyl]ethanone IUPAC Name: 1-[(2R,6S)-4-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]ethanone Traditional Name: 1-[(2R,6S)-4-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethyl-piperazino]ethanone Formula: C19H23N7O MolecularWeight: 365.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C2=NC=NC(=C2)N3C4=CC=CC=C4N=C3N

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C(=O)C)C)C2=NC=NC(=C2)N3C4=CC=CC=C4N=C3N

InChI

InChI=1S/C19H23N7O/c1-12-9-24(10-13(2)25(12)14(3)27)17-8-18(22-11-21-17)26-16-7-5-4-6-15(16)23-19(26)20/h4-8,11-13H,9-10H2,1-3H3,(H2,20,23)/t12-,13+