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

Systemtic Name: 1-(3,5-dinitro-4-piperidin-1-yl-cyclohexa-1,5-dien-1-yl)carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[3,5-dinitro-4-(1-piperidyl)cyclohexa-1,5-diene-1-carbonyl]-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one CAS Name: 1-[[3,5-dinitro-4-(1-piperidinyl)-1-cyclohexa-1,5-dienyl]-oxomethyl]-6-methyl-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(3,5-dinitro-4-piperidin-1-ylcyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(3,5-dinitro-4-piperidino-cyclohexa-1,5-diene-1-carbonyl)-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one Formula: C20H25N5O6S MolecularWeight: 463.5074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(C(C(=C2)[N+](=O)[O-])N3CCCCC3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(C(C(=C2)[N+](=O)[O-])N3CCCCC3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H25N5O6S/c1-12(2)22-17(26)9-13(3)23(20(22)32)19(27)14-10-15(24(28)29)18(16(11-14)25(30)31)21-7-5-4-6-8-21/h9-12,15,18H,4-8H2,1-3H3