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

Systemtic Name: [2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-(3-phenylpyrrolidin-1-yl)methanone Openeye Name: [2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-(3-phenylpyrrolidin-1-yl)methanone CAS Name: [2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-(3-phenyl-1-pyrrolidinyl)methanone IUPAC Name: [2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-(3-phenylpyrrolidin-1-yl)methanone Traditional Name: [2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-(3-phenylpyrrolidino)methanone Formula: C29H35N7O MolecularWeight: 497.6345

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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)N5CCC(C5)C6=CC=CC=C6)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C(=O)N5CCC(C5)C6=CC=CC=C6)N

InChI

InChI=1S/C29H35N7O/c1-33-13-15-34(16-14-33)26-18-27(32-29(30)31-26)35-11-9-22-7-8-23(17-25(22)20-35)28(37)36-12-10-24(19-36)21-5-3-2-4-6-21/h2-8,17-18,24H,9-16,19-20H2,1H3,(H2,30,31,32)