1-[4-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperazino]ethanone Formula: C24H34N8O MolecularWeight: 450.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2

InChI

InChI=1S/C24H34N8O/c1-18(33)29-11-13-30(14-12-29)21-4-3-19-5-6-32(17-20(19)15-21)23-16-22(26-24(25)27-23)31-9-7-28(2)8-10-31/h3-4,15-16H,5-14,17H2,1-2H3,(H2,25,26,27)