3-(2-chlorophenyl)-1-(2-methylsulfanylethyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-1-(2-methylsulfanylethyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-(2-methylsulfanylethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-[2-(methylthio)ethyl]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-(2-methylsulfanylethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-[2-(methylthio)ethyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)O

Isomeric SMILES

CSCCN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)O

InChI

InChI=1S/C21H26ClN5O2S/c1-30-11-10-26-19-14(13-27(21(26)29)18-5-3-2-4-17(18)22)12-23-20(25-19)24-15-6-8-16(28)9-7-15/h2-5,12,15-16,28H,6-11,13H2,1H3,(H,23,24,25)