6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-N4-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-N4-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-benzyl-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]-N4-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-benzyl-6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrimidine-2,4-diamine Traditional Name: [4-[5-[2-amino-6-(benzylamino)pyrimidin-4-yl]benzimidazol-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C30H27N9 MolecularWeight: 513.59568

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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)NCC6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC(=N5)N)NCC6=CC=CC=C6

InChI

InChI=1S/C30H27N9/c1-20(22-10-6-3-7-11-22)35-30-32-15-14-28(38-30)39-19-34-25-16-23(12-13-26(25)39)24-17-27(37-29(31)36-24)33-18-21-8-4-2-5-9-21/h2-17,19-20H,18H2,1H3,(H,32,35,38)(H3,31,33,36,37)