N'-[7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]isoquinolin-1-yl]butane-1,4-diamine

Systemtic Name: N'-[7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]isoquinolin-1-yl]butane-1,4-diamine Openeye Name: N'-[7-[2-(4-methoxyanilino)pyrimidin-4-yl]-1-isoquinolyl]butane-1,4-diamine CAS Name: N'-[7-[2-(4-methoxyanilino)-4-pyrimidinyl]-1-isoquinolinyl]butane-1,4-diamine IUPAC Name: N'-[7-[2-(4-methoxyanilino)pyrimidin-4-yl]isoquinolin-1-yl]butane-1,4-diamine Traditional Name: 4-aminobutyl-[7-[2-(p-anisidino)pyrimidin-4-yl]-1-isoquinolyl]amine Formula: C24H26N6O MolecularWeight: 414.50284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)C=CN=C4NCCCCN

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)C=CN=C4NCCCCN

InChI

InChI=1S/C24H26N6O/c1-31-20-8-6-19(7-9-20)29-24-28-15-11-22(30-24)18-5-4-17-10-14-27-23(21(17)16-18)26-13-3-2-12-25/h4-11,14-16H,2-3,12-13,25H2,1H3,(H,26,27)(H,28,29,30)