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

Systemtic Name: N-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N5O2/c1-2-3-6-17-9-11-20(12-10-17)26-22-21(28(29)30)23(25-16-24-22)27-14-13-18-7-4-5-8-19(18)15-27/h4-5,7-12,16H,2-3,6,13-15H2,1H3,(H,24,25,26)