2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: 2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-7-carboxamide CAS Name: 2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: 2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Formula: C24H33N7O MolecularWeight: 435.56512

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C(=O)NC5CCCC5)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C(=O)NC5CCCC5)N

InChI

InChI=1S/C24H33N7O/c1-29-10-12-30(13-11-29)21-15-22(28-24(25)27-21)31-9-8-17-6-7-18(14-19(17)16-31)23(32)26-20-4-2-3-5-20/h6-7,14-15,20H,2-5,8-13,16H2,1H3,(H,26,32)(H2,25,27,28)