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

Systemtic Name: 2-methylsulfanyl-7-(2-prop-2-enoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 7-(2-allyloxyphenyl)-2-methylsulfanyl-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2-(methylthio)-7-(2-prop-2-enoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 2-methylsulfanyl-7-(2-prop-2-enoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 7-(2-allyloxyphenyl)-2-(methylthio)-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)NC(=NC2=O)C3=CC=CC=C3OCC=C

Isomeric SMILES

CSC1=NC=C2C(=N1)NC(=NC2=O)C3=CC=CC=C3OCC=C

InChI

InChI=1S/C16H14N4O2S/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/h3-7,9H,1,8H2,2H3,(H,17,18,19,20,21)