3-[2,6-bis(chloranyl)phenyl]-1-[3-(2-chloroethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-1-[3-(2-chloroethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-[3-(2-chloroethyl)phenyl]-3-(2,6-dichlorophenyl)-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-[3-(2-chloroethyl)phenyl]-3-(2,6-dichlorophenyl)-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-[3-(2-chloroethyl)phenyl]-3-(2,6-dichlorophenyl)-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-[3-(2-chloroethyl)phenyl]-3-(2,6-dichlorophenyl)-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C21H17Cl3N4OS MolecularWeight: 479.80988

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CCCl)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CSC1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CCCl)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C21H17Cl3N4OS/c1-30-20-25-11-14-12-27(18-16(23)6-3-7-17(18)24)21(29)28(19(14)26-20)15-5-2-4-13(10-15)8-9-22/h2-7,10-11H,8-9,12H2,1H3