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

Systemtic Name: 3-(6-methoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-(6-methoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(6-methoxy-2-methyl-5-nitro-4-pyrimidinyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(6-methoxy-2-methyl-5-nitro-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OC)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=N1)OC)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C16H18N4O3/c1-11-17-15(14(20(21)22)16(18-11)23-2)19-9-7-12-5-3-4-6-13(12)8-10-19/h3-6H,7-10H2,1-2H3