3,4-dihydro-1H-isoquinolin-2-yl-[3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[6-(3-methylanilino)-4-pyrimidinyl]amino]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[6-(m-toluidino)pyrimidin-4-yl]amino]phenyl]methanone Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H25N5O/c1-19-6-4-10-23(14-19)30-25-16-26(29-18-28-25)31-24-11-5-9-21(15-24)27(33)32-13-12-20-7-2-3-8-22(20)17-32/h2-11,14-16,18H,12-13,17H2,1H3,(H2,28,29,30,31)