5-(4-chlorophenyl)-1-methyl-7-sulfanylidene-6,8-dihydropteridine-2,4-dione

Systemtic Name: 5-(4-chlorophenyl)-1-methyl-7-sulfanylidene-6,8-dihydropteridine-2,4-dione Openeye Name: 5-(4-chlorophenyl)-1-methyl-7-thioxo-6,8-dihydropteridine-2,4-dione CAS Name: 5-(4-chlorophenyl)-1-methyl-7-sulfanylidene-6,8-dihydropteridine-2,4-dione IUPAC Name: 5-(4-chlorophenyl)-1-methyl-7-sulfanylidene-6,8-dihydropteridine-2,4-dione Traditional Name: 5-(4-chlorophenyl)-1-methyl-7-thioxo-6,8-dihydropteridine-2,4-quinone Formula: C13H11ClN4O2S MolecularWeight: 322.77004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(CC(=S)N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(CC(=S)N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H11ClN4O2S/c1-17-11-10(12(19)16-13(17)20)18(6-9(21)15-11)8-4-2-7(14)3-5-8/h2-5H,6H2,1H3,(H,15,21)(H,16,19,20)