7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-acetonylsulfanyl-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxopropylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxopropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(acetonylthio)-7-(3-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)CSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C18H18N4O4S/c1-10(23)9-27-16-13-15(21(2)18(25)22(3)17(13)24)19-14(20-16)11-6-5-7-12(8-11)26-4/h5-8H,9H2,1-4H3