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

Systemtic Name: N5-(3-chlorophenyl)-6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N5-(3-chlorophenyl)-6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: N5-(3-chlorophenyl)-6-methyl-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 5-N-(3-chlorophenyl)-6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: (1-amino-6-methyl-5-isoquinolyl)-(3-chlorophenyl)-[3-(4-pyrimidyl)-2-pyridyl]amine Formula: C25H19ClN6 MolecularWeight: 438.91156

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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)Cl)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)Cl)C4=C(C=CC=N4)C5=NC=NC=C5

InChI

InChI=1S/C25H19ClN6/c1-16-7-8-20-19(9-13-29-24(20)27)23(16)32(18-5-2-4-17(26)14-18)25-21(6-3-11-30-25)22-10-12-28-15-31-22/h2-15H,1H3,(H2,27,29)