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

Systemtic Name: 1-[4-[(2-chlorophenyl)amino]-3,5-dinitro-cyclohexa-1,5-dien-1-yl]carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[4-(2-chloroanilino)-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl]-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one CAS Name: 1-[[4-(2-chloroanilino)-3,5-dinitro-1-cyclohexa-1,5-dienyl]-oxomethyl]-6-methyl-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[4-(2-chloroanilino)-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl]-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[4-(2-chloroanilino)-3,5-dinitro-cyclohexa-1,5-diene-1-carbonyl]-3-isopropyl-6-methyl-2-thioxo-pyrimidin-4-one Formula: C21H20ClN5O6S MolecularWeight: 505.9314

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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-])NC3=CC=CC=C3Cl)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=S)N1C(=O)C2=CC(C(C(=C2)[N+](=O)[O-])NC3=CC=CC=C3Cl)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C21H20ClN5O6S/c1-11(2)24-18(28)8-12(3)25(21(24)34)20(29)13-9-16(26(30)31)19(17(10-13)27(32)33)23-15-7-5-4-6-14(15)22/h4-11,16,19,23H,1-3H3