6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N4-(3-methoxyphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21N5O/c1-26-17-8-4-7-16(11-17)24-19-18(21)20(23-13-22-19)25-10-9-14-5-2-3-6-15(14)12-25/h2-8,11,13H,9-10,12,21H2,1H3,(H,22,23,24)