3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-7-fluoranyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-7-fluoranyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-7-fluoro-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(6-ethoxy-2-methyl-5-nitro-4-pyrimidinyl)-7-fluoro-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-(6-ethoxy-2-methyl-5-nitropyrimidin-4-yl)-7-fluoro-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-7-fluoro-1,2,4,5-tetrahydro-3-benzazepine Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=C(CC2)C=C(C=C3)F)C

Isomeric SMILES

CCOC1=NC(=NC(=C1[N+](=O)[O-])N2CCC3=C(CC2)C=C(C=C3)F)C

InChI

InChI=1S/C17H19FN4O3/c1-3-25-17-15(22(23)24)16(19-11(2)20-17)21-8-6-12-4-5-14(18)10-13(12)7-9-21/h4-5,10H,3,6-9H2,1-2H3