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

Systemtic Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: butyl-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H21N5O2/c1-2-3-9-18-16-15(22(23)24)17(20-12-19-16)21-10-8-13-6-4-5-7-14(13)11-21/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,20)