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

Systemtic Name: 1-[2-(2-oxidanylidenepropylsulfanyl)-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-4-yl]sulfanylpropan-2-one Openeye Name: 1-(2-acetonylsulfanyl-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-4-yl)sulfanylpropan-2-one CAS Name: 1-[[2-(2-oxopropylthio)-7-(1-pyrrolidinyl)-4-pyrimido[4,5-d]pyrimidinyl]thio]-2-propanone IUPAC Name: 1-[2-(2-oxopropylsulfanyl)-7-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-4-yl]sulfanylpropan-2-one Traditional Name: 1-[[2-(acetonylthio)-7-pyrrolidino-pyrimido[4,5-d]pyrimidin-4-yl]thio]acetone Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=NC2=NC(=NC=C21)N3CCCC3)SCC(=O)C

Isomeric SMILES

CC(=O)CSC1=NC(=NC2=NC(=NC=C21)N3CCCC3)SCC(=O)C

InChI

InChI=1S/C16H19N5O2S2/c1-10(22)8-24-14-12-7-17-15(21-5-3-4-6-21)18-13(12)19-16(20-14)25-9-11(2)23/h7H,3-6,8-9H2,1-2H3