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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

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