2-[2-[[5-(dimethylaminomethyl)-2-methoxy-phenyl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)-2-methoxy-phenyl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-2-methoxy-phenyl]methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(dimethylaminomethyl)-2-methoxyphenyl]methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)-2-methoxyphenyl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-methoxy-benzyl]thio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=C(C=C1)OC)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

CN(C)CC1=CC(=C(C=C1)OC)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C23H29N5O2S/c1-28(2)15-18-6-7-21(30-3)20(12-18)16-31-10-9-25-23-26-14-19(22(29)27-23)11-17-5-4-8-24-13-17/h4-8,12-14H,9-11,15-16H2,1-3H3,(H2,25,26,27,29)