N1-(3,3-dimethyl-1,2-dihydroindol-6-yl)-6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine

Systemtic Name: N1-(3,3-dimethyl-1,2-dihydroindol-6-yl)-6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N1-(3,3-dimethylindolin-6-yl)-6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: N1-(3,3-dimethyl-1,2-dihydroindol-6-yl)-6-methyl-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 1-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: (3,3-dimethylindolin-6-yl)-[6-methyl-5-[[3-(4-pyrimidyl)-2-pyridyl]amino]-1-isoquinolyl]amine Formula: C29H27N7 MolecularWeight: 473.57158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC4=C(C=C3)C(CN4)(C)C)NC5=C(C=CC=N5)C6=NC=NC=C6

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC4=C(C=C3)C(CN4)(C)C)NC5=C(C=CC=N5)C6=NC=NC=C6

InChI

InChI=1S/C29H27N7/c1-18-6-8-21-20(26(18)36-28-22(5-4-12-31-28)24-11-13-30-17-34-24)10-14-32-27(21)35-19-7-9-23-25(15-19)33-16-29(23,2)3/h4-15,17,33H,16H2,1-3H3,(H,31,36)(H,32,35)