4-[3-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Systemtic Name: 4-[3-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: 4-(4-methylpiperazin-1-yl)-6-[3-methyl-7-(1-tetrahydropyran-4-ylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine CAS Name: 4-[3-methyl-7-[1-(4-oxanyl)-4-pyrazolyl]-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methyl-1-piperazinyl)-2-pyrimidinamine IUPAC Name: 4-[3-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: [4-(4-methylpiperazino)-6-[3-methyl-7-(1-tetrahydropyran-4-ylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-yl]amine Formula: C27H36N8O MolecularWeight: 488.62774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(CN1C3=CC(=NC(=N3)N)N4CCN(CC4)C)C=C(C=C2)C5=CN(N=C5)C6CCOCC6

Isomeric SMILES

CC1CC2=C(CN1C3=CC(=NC(=N3)N)N4CCN(CC4)C)C=C(C=C2)C5=CN(N=C5)C6CCOCC6

InChI

InChI=1S/C27H36N8O/c1-19-13-20-3-4-21(23-16-29-35(18-23)24-5-11-36-12-6-24)14-22(20)17-34(19)26-15-25(30-27(28)31-26)33-9-7-32(2)8-10-33/h3-4,14-16,18-19,24H,5-13,17H2,1-2H3,(H2,28,30,31)