1-[7-morpholin-4-yl-2-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanylpropan-2-one

Systemtic Name: 1-[7-morpholin-4-yl-2-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanylpropan-2-one Openeye Name: 1-(2-acetonylsulfanyl-7-morpholino-pyrimido[4,5-d]pyrimidin-4-yl)sulfanylpropan-2-one CAS Name: 1-[[7-(4-morpholinyl)-2-(2-oxopropylthio)-4-pyrimido[4,5-d]pyrimidinyl]thio]-2-propanone IUPAC Name: 1-[7-morpholin-4-yl-2-(2-oxopropylsulfanyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanylpropan-2-one Traditional Name: 1-[[2-(acetonylthio)-7-morpholino-pyrimido[4,5-d]pyrimidin-4-yl]thio]acetone Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=NC2=NC(=NC=C21)N3CCOCC3)SCC(=O)C

Isomeric SMILES

CC(=O)CSC1=NC(=NC2=NC(=NC=C21)N3CCOCC3)SCC(=O)C

InChI

InChI=1S/C16H19N5O3S2/c1-10(22)8-25-14-12-7-17-15(21-3-5-24-6-4-21)18-13(12)19-16(20-14)26-9-11(2)23/h7H,3-6,8-9H2,1-2H3