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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H23N5O2/c1-13(2)7-9-19-17-16(23(24)25)18(21-12-20-17)22-10-8-14-5-3-4-6-15(14)11-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,20,21)