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

Systemtic Name: 2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-carboxamide CAS Name: 2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: 2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Formula: C21H29N7O MolecularWeight: 395.50126

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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)N(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O/c1-25(2)20(29)16-5-4-15-6-7-28(14-17(15)12-16)19-13-18(23-21(22)24-19)27-10-8-26(3)9-11-27/h4-5,12-13H,6-11,14H2,1-3H3,(H2,22,23,24)