2-[(3-chlorophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione CAS Name: 2-[(3-chlorophenyl)methylthio]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Traditional Name: 2-[(3-chlorobenzyl)thio]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-quinone Formula: C19H13ClN4O2S MolecularWeight: 396.85012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H13ClN4O2S/c20-13-6-4-5-12(9-13)11-27-18-21-10-15-16(22-18)23-19(26)24(17(15)25)14-7-2-1-3-8-14/h1-10H,11H2,(H,21,22,23,26)