6-(azepan-1-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-(azepan-1-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(azepan-1-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-(1-azepanyl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(azepan-1-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-(azepan-1-yl)-3-methyl-5-(4-nitrobenzyl)uracil Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC1=O)N2CCCCCC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(NC1=O)N2CCCCCC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-20-17(23)15(12-13-6-8-14(9-7-13)22(25)26)16(19-18(20)24)21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,19,24)