N5-[3-(dimethylamino)phenyl]-6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine

Systemtic Name: N5-[3-(dimethylamino)phenyl]-6-methyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N5-[3-(dimethylamino)phenyl]-6-methyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: N5-[3-(dimethylamino)phenyl]-6-methyl-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 5-N-[3-(dimethylamino)phenyl]-6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: (1-amino-6-methyl-5-isoquinolyl)-[3-(dimethylamino)phenyl]-[3-(4-pyrimidyl)-2-pyridyl]amine Formula: C27H25N7 MolecularWeight: 447.5343

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

InChI

InChI=1S/C27H25N7/c1-18-9-10-22-21(11-15-30-26(22)28)25(18)34(20-7-4-6-19(16-20)33(2)3)27-23(8-5-13-31-27)24-12-14-29-17-32-24/h4-17H,1-3H3,(H2,28,30)