N-[5-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridin-2-yl]ethanamide

Systemtic Name: N-[5-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridin-2-yl]ethanamide Openeye Name: N-[5-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridyl]acetamide CAS Name: N-[5-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinyl]acetamide IUPAC Name: N-[5-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridin-2-yl]acetamide Traditional Name: N-[5-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridyl]acetamide Formula: C25H30N8O MolecularWeight: 458.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2

InChI

InChI=1S/C25H30N8O/c1-17(34)28-22-6-5-20(15-27-22)19-4-3-18-7-8-33(16-21(18)13-19)24-14-23(29-25(26)30-24)32-11-9-31(2)10-12-32/h3-6,13-15H,7-12,16H2,1-2H3,(H2,26,29,30)(H,27,28,34)