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

Systemtic Name: [2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-pyrrolidino-methanone Formula: C23H31N7O MolecularWeight: 421.53854

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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)N5CCCC5)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C(=O)N5CCCC5)N

InChI

InChI=1S/C23H31N7O/c1-27-10-12-28(13-11-27)20-15-21(26-23(24)25-20)30-9-6-17-4-5-18(14-19(17)16-30)22(31)29-7-2-3-8-29/h4-5,14-15H,2-3,6-13,16H2,1H3,(H2,24,25,26)