6-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-5-nitro-1,3-diazinane-2,4-dione

Systemtic Name: 6-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-5-nitro-1,3-diazinane-2,4-dione Openeye Name: 6-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-5-nitro-hexahydropyrimidine-2,4-dione CAS Name: 6-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-5-nitro-1,3-diazinane-2,4-dione IUPAC Name: 6-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-5-nitro-1,3-diazinane-2,4-dione Traditional Name: 6-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-5-nitro-5,6-dihydrouracil Formula: C13H16N4O5 MolecularWeight: 308.28994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(NC1=O)NCCC2=CC=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(C(NC1=O)NCCC2=CC=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c1-16-12(19)10(17(21)22)11(15-13(16)20)14-7-6-8-2-4-9(18)5-3-8/h2-5,10-11,14,18H,6-7H2,1H3,(H,15,20)