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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C29H45N5O2 MolecularWeight: 495.6999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C29H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-30-28-27(34(35)36)29(32-24-31-28)33-22-20-25-18-15-16-19-26(25)23-33/h15-16,18-19,24H,2-14,17,20-23H2,1H3,(H,30,31,32)