6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O2/c1-15-8-10-16(11-9-15)13-22-20-19(26(27)28)21(24-14-23-20)25-12-4-6-17-5-2-3-7-18(17)25/h2-3,5,7-11,14H,4,6,12-13H2,1H3,(H,22,23,24)