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

Systemtic Name: N5-(4-tert-butylphenyl)-6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N5-(4-tert-butylphenyl)-6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: N5-(4-tert-butylphenyl)-6-methyl-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 5-N-(4-tert-butylphenyl)-6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: (1-amino-6-methyl-5-isoquinolyl)-(4-tert-butylphenyl)-[3-(4-pyrimidyl)-2-pyridyl]amine Formula: C29H28N6 MolecularWeight: 460.57282

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H28N6/c1-19-7-12-23-22(13-17-32-27(23)30)26(19)35(21-10-8-20(9-11-21)29(2,3)4)28-24(6-5-15-33-28)25-14-16-31-18-34-25/h5-18H,1-4H3,(H2,30,32)