N2-(3H-benzimidazol-5-yl)-5-bromanyl-N4-(2,3-dihydro-1H-inden-1-yl)pyrimidine-2,4-diamine

Systemtic Name: N2-(3H-benzimidazol-5-yl)-5-bromanyl-N4-(2,3-dihydro-1H-inden-1-yl)pyrimidine-2,4-diamine Openeye Name: N2-(3H-benzimidazol-5-yl)-5-bromo-N4-indan-1-yl-pyrimidine-2,4-diamine CAS Name: N2-(3H-benzimidazol-5-yl)-5-bromo-N4-(2,3-dihydro-1H-inden-1-yl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3H-benzimidazol-5-yl)-5-bromo-4-N-(2,3-dihydro-1H-inden-1-yl)pyrimidine-2,4-diamine Traditional Name: 3H-benzimidazol-5-yl-[5-bromo-4-(indan-1-ylamino)pyrimidin-2-yl]amine Formula: C20H17BrN6 MolecularWeight: 421.29318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CC2=CC=CC=C2C1NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C20H17BrN6/c21-15-10-22-20(25-13-6-8-17-18(9-13)24-11-23-17)27-19(15)26-16-7-5-12-3-1-2-4-14(12)16/h1-4,6,8-11,16H,5,7H2,(H,23,24)(H2,22,25,26,27)