4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-pyridinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-pyridylmethyl)pyrimidine-5-carboxamide Formula: C28H27ClN6O2 MolecularWeight: 515.00598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=N3)N4CCC5=CC=CC=C5C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=N3)N4CCC5=CC=CC=C5C4)Cl

InChI

InChI=1S/C28H27ClN6O2/c1-37-25-10-9-19(14-24(25)29)15-31-26-23(27(36)32-16-22-8-4-5-12-30-22)17-33-28(34-26)35-13-11-20-6-2-3-7-21(20)18-35/h2-10,12,14,17H,11,13,15-16,18H2,1H3,(H,32,36)(H,31,33,34)