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

Systemtic Name: N1,6-dimethyl-N5-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Openeye Name: N1,6-dimethyl-N5-(3-pyrimidin-4-yl-2-pyridyl)isoquinoline-1,5-diamine CAS Name: N1,6-dimethyl-N5-[3-(4-pyrimidinyl)-2-pyridinyl]isoquinoline-1,5-diamine IUPAC Name: 1-N,6-dimethyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine Traditional Name: methyl-[6-methyl-5-[[3-(4-pyrimidyl)-2-pyridyl]amino]-1-isoquinolyl]amine Formula: C20H18N6 MolecularWeight: 342.39712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC)NC3=C(C=CC=N3)C4=NC=NC=C4

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC)NC3=C(C=CC=N3)C4=NC=NC=C4

InChI

InChI=1S/C20H18N6/c1-13-5-6-15-14(7-11-24-19(15)21-2)18(13)26-20-16(4-3-9-23-20)17-8-10-22-12-25-17/h3-12H,1-2H3,(H,21,24)(H,23,26)