(2S)-N2-[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]-3-methyl-butane-1,2-diamine

Systemtic Name: (2S)-N2-[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]-3-methyl-butane-1,2-diamine Openeye Name: (2S)-N2-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-3-methyl-butane-1,2-diamine CAS Name: (2S)-N2-[6-(2-amino-1-benzimidazolyl)-4-pyrimidinyl]-3-methylbutane-1,2-diamine IUPAC Name: (2S)-2-N-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-3-methylbutane-1,2-diamine Traditional Name: [6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-[(1S)-1-(aminomethyl)-2-methyl-propyl]amine Formula: C16H21N7 MolecularWeight: 311.38484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)NC1=NC=NC(=C1)N2C3=CC=CC=C3N=C2N

Isomeric SMILES

CC(C)[C@@H](CN)NC1=NC=NC(=C1)N2C3=CC=CC=C3N=C2N

InChI

InChI=1S/C16H21N7/c1-10(2)12(8-17)21-14-7-15(20-9-19-14)23-13-6-4-3-5-11(13)22-16(23)18/h3-7,9-10,12H,8,17H2,1-2H3,(H2,18,22)(H,19,20,21)/t12-/m1/s1