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

Systemtic Name: N-(4-butoxyphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

InChI=1S/C23H25N5O3/c1-2-3-15-31-19-12-10-18(11-13-19)26-22-21(28(29)30)23(25-16-24-22)27-14-6-8-17-7-4-5-9-20(17)27/h4-5,7,9-13,16H,2-3,6,8,14-15H2,1H3,(H,24,25,26)