2-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-5-methyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-5-methyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl]ethylamino]-5-methyl-1H-pyrimidin-6-one CAS Name: 2-[2-[[4-(dimethylaminomethyl)-2-pyridinyl]methylthio]ethylamino]-5-methyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-5-methyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylthio]ethylamino]-5-methyl-1H-pyrimidin-6-one Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(NC1=O)NCCSCC2=NC=CC(=C2)CN(C)C

Isomeric SMILES

CC1=CN=C(NC1=O)NCCSCC2=NC=CC(=C2)CN(C)C

InChI

InChI=1S/C16H23N5OS/c1-12-9-19-16(20-15(12)22)18-6-7-23-11-14-8-13(4-5-17-14)10-21(2)3/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,18,19,20,22)