2-ethylsulfanyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 2-ethylsulfanyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 6-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-2-ethylsulfanyl-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2-(ethylthio)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-5-pyrimido[4,5-d]pyrimidinone IUPAC Name: 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-ethylsulfanylpyrimido[4,5-d]pyrimidin-5-one Traditional Name: 6-[2-(4-benzylpiperidino)-2-keto-ethyl]-2-(ethylthio)pyrimido[4,5-d]pyrimidin-5-one Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCSC1=NC=C2C(=N1)N=CN(C2=O)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-2-30-22-23-13-18-20(25-22)24-15-27(21(18)29)14-19(28)26-10-8-17(9-11-26)12-16-6-4-3-5-7-16/h3-7,13,15,17H,2,8-12,14H2,1H3