3-[[2-(benzimidazol-1-yl)-6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]-4-methyl-phenol

Systemtic Name: 3-[[2-(benzimidazol-1-yl)-6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]-4-methyl-phenol Openeye Name: 3-[[2-(benzimidazol-1-yl)-6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]-4-methyl-phenol CAS Name: 3-[[2-(1-benzimidazolyl)-6-[3-(dimethylamino)propylamino]-4-pyrimidinyl]amino]-4-methylphenol IUPAC Name: 3-[[2-(benzimidazol-1-yl)-6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]-4-methylphenol Traditional Name: 3-[[2-(benzimidazol-1-yl)-6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]-4-methyl-phenol Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)NC2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)NCCCN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)O)NC2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)NCCCN(C)C

InChI

InChI=1S/C23H27N7O/c1-16-9-10-17(31)13-19(16)26-22-14-21(24-11-6-12-29(2)3)27-23(28-22)30-15-25-18-7-4-5-8-20(18)30/h4-5,7-10,13-15,31H,6,11-12H2,1-3H3,(H2,24,26,27,28)