1-[3,5-dinitro-4-(propan-2-ylamino)phenyl]carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[3,5-dinitro-4-(propan-2-ylamino)phenyl]carbonyl-6-methyl-3-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 3-isopropyl-1-[4-(isopropylamino)-3,5-dinitro-benzoyl]-6-methyl-2-thioxo-pyrimidin-4-one CAS Name: 1-[[3,5-dinitro-4-(propan-2-ylamino)phenyl]-oxomethyl]-6-methyl-3-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[3,5-dinitro-4-(propan-2-ylamino)benzoyl]-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 3-isopropyl-1-[4-(isopropylamino)-3,5-dinitro-benzoyl]-6-methyl-2-thioxo-pyrimidin-4-one Formula: C18H21N5O6S MolecularWeight: 435.45424

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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-])NC(C)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O6S/c1-9(2)19-16-13(22(26)27)7-12(8-14(16)23(28)29)17(25)21-11(5)6-15(24)20(10(3)4)18(21)30/h6-10,19H,1-5H3