6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C18H23N7O2 MolecularWeight: 369.42092

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H23N7O2/c1-22-8-10-24(11-9-22)21-17-16(25(26)27)18(20-13-19-17)23-7-6-14-4-2-3-5-15(14)12-23/h2-5,13H,6-12H2,1H3,(H,19,20,21)