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

Systemtic Name: 6-methyl-N1-(3-propan-2-yloxyphenyl)-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N1-(3-isopropoxyphenyl)-6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: 6-methyl-N1-(3-propan-2-yloxyphenyl)-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 6-methyl-1-N-(3-propan-2-yloxyphenyl)-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: [1-(3-isopropoxyanilino)-6-methyl-5-isoquinolyl]-[3-(4-pyrimidyl)-2-pyridyl]amine Formula: C28H26N6O MolecularWeight: 462.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=CC=C3)OC(C)C)NC4=C(C=CC=N4)C5=NC=NC=C5

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=CC=C3)OC(C)C)NC4=C(C=CC=N4)C5=NC=NC=C5

InChI

InChI=1S/C28H26N6O/c1-18(2)35-21-7-4-6-20(16-21)33-27-23-10-9-19(3)26(22(23)11-15-31-27)34-28-24(8-5-13-30-28)25-12-14-29-17-32-25/h4-18H,1-3H3,(H,30,34)(H,31,33)