2-methylsulfanyl-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 2-methylsulfanyl-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 2-methylsulfanyl-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2-(methylthio)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 2-methylsulfanyl-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 2-(methylthio)-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C16H16N4O2S MolecularWeight: 330.381382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=CN=C(N=C3N2)SC

Isomeric SMILES

CCCOC1=CC=CC=C1[14C]2=NC(=O)C3=CN=C(N=C3N2)SC

InChI

InChI=1S/C16H16N4O2S/c1-3-8-22-12-7-5-4-6-10(12)13-18-14-11(15(21)19-13)9-17-16(20-14)23-2/h4-7,9H,3,8H2,1-2H3,(H,17,18,19,20,21)/i13+2