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

Systemtic Name: 6-methyl-N5-(3-propan-2-ylphenyl)-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N5-(3-isopropylphenyl)-6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: 6-methyl-N5-(3-propan-2-ylphenyl)-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 6-methyl-5-N-(3-propan-2-ylphenyl)-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: (1-amino-6-methyl-5-isoquinolyl)-m-cumenyl-[3-(4-pyrimidyl)-2-pyridyl]amine Formula: C28H26N6 MolecularWeight: 446.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)N)N(C3=CC=CC(=C3)C(C)C)C4=C(C=CC=N4)C5=NC=NC=C5

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)N)N(C3=CC=CC(=C3)C(C)C)C4=C(C=CC=N4)C5=NC=NC=C5

InChI

InChI=1S/C28H26N6/c1-18(2)20-6-4-7-21(16-20)34(26-19(3)9-10-23-22(26)11-15-31-27(23)29)28-24(8-5-13-32-28)25-12-14-30-17-33-25/h4-18H,1-3H3,(H2,29,31)