5-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylidene]-1,3-diethyl-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]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]methylidene]-1,3-diethyl-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]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-[[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H25N5O3S MolecularWeight: 463.552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=C(N(C(=C2)C)N3C(=NC4=CC=CC=C4C3=O)C)C)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=C(N(C(=C2)C)N3C(=NC4=CC=CC=C4C3=O)C)C)C(=O)N(C1=S)CC

InChI

InChI=1S/C24H25N5O3S/c1-6-26-21(30)19(22(31)27(7-2)24(26)33)13-17-12-14(3)28(15(17)4)29-16(5)25-20-11-9-8-10-18(20)23(29)32/h8-13H,6-7H2,1-5H3