6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrimidine-2,4-diamine Openeye Name: 6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrimidine-2,4-diamine CAS Name: 6-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]pyrimidine-2,4-diamine IUPAC Name: 6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrimidine-2,4-diamine Traditional Name: [4-[5-(2,6-diaminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C23H21N9 MolecularWeight: 423.47314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC(=N5)N)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC(=N5)N)N

InChI

InChI=1S/C23H21N9/c1-14(15-5-3-2-4-6-15)28-23-26-10-9-21(31-23)32-13-27-18-11-16(7-8-19(18)32)17-12-20(24)30-22(25)29-17/h2-14H,1H3,(H,26,28,31)(H4,24,25,29,30)