5-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=C4C(=O)NC(=S)N(C4=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=C4C(=O)NC(=S)N(C4=O)CC=C

InChI

InChI=1S/C23H21N5O3S/c1-5-10-26-21(30)18(20(29)25-23(26)32)12-16-11-13(2)27(14(16)3)28-15(4)24-19-9-7-6-8-17(19)22(28)31/h5-9,11-12H,1,10H2,2-4H3,(H,25,29,32)