6-methyl-1-(4-morpholin-4-yl-3,5-dinitro-cyclohexa-1,5-dien-1-yl)carbonyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-methyl-1-(4-morpholin-4-yl-3,5-dinitro-cyclohexa-1,5-dien-1-yl)carbonyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 3-isopropyl-6-methyl-1-(4-morpholino-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl)-2-thioxo-pyrimidin-4-one CAS Name: 6-methyl-1-[[4-(4-morpholinyl)-3,5-dinitro-1-cyclohexa-1,5-dienyl]-oxomethyl]-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-methyl-1-(4-morpholin-4-yl-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 3-isopropyl-6-methyl-1-(4-morpholino-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl)-2-thioxo-pyrimidin-4-one Formula: C19H23N5O7S MolecularWeight: 465.48022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(C(C(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(C(C(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C19H23N5O7S/c1-11(2)21-16(25)8-12(3)22(19(21)32)18(26)13-9-14(23(27)28)17(15(10-13)24(29)30)20-4-6-31-7-5-20/h8-11,14,17H,4-7H2,1-3H3