diethyl 1-(acridin-9-ylmethyl)-3-(4-bromophenyl)-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate

Systemtic Name: diethyl 1-(acridin-9-ylmethyl)-3-(4-bromophenyl)-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Openeye Name: diethyl 1-(acridin-9-ylmethyl)-3-(4-bromophenyl)-4-thioxo-hexahydropyrimidine-5,5-dicarboxylate CAS Name: 1-(9-acridinylmethyl)-3-(4-bromophenyl)-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(acridin-9-ylmethyl)-3-(4-bromophenyl)-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Traditional Name: 1-(acridin-9-ylmethyl)-3-(4-bromophenyl)-4-thioxo-hexahydropyrimidine-5,5-dicarboxylic acid diethyl ester Formula: C30H28BrN3O4S MolecularWeight: 606.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CN(C1=S)C2=CC=C(C=C2)Br)CC3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CN(CN(C1=S)C2=CC=C(C=C2)Br)CC3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)OCC

InChI

InChI=1S/C30H28BrN3O4S/c1-3-37-28(35)30(29(36)38-4-2)18-33(19-34(27(30)39)21-15-13-20(31)14-16-21)17-24-22-9-5-7-11-25(22)32-26-12-8-6-10-23(24)26/h5-16H,3-4,17-19H2,1-2H3