5-(diethylaminomethyl)-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(diethylaminomethyl)-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-(diethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-(diethylaminomethyl)-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-(diethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-(diethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

Isomeric SMILES

CCN(CC)CC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

InChI

InChI=1S/C16H21N3O2S/c1-3-19(4-2)10-13-14(20)17-16(18-15(13)21)22-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,20,21)