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

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(1H-imidazol-2-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(1H-imidazol-2-ylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-5-(1H-imidazol-2-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-(1H-imidazol-2-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-5-(1H-imidazol-2-ylmethyl)-1H-pyrimidin-6-one Formula: C20H26N6OS MolecularWeight: 398.52504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=NC=CN3

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=NC=CN3

InChI

InChI=1S/C20H26N6OS/c1-26(2)13-15-4-3-5-16(10-15)14-28-9-8-23-20-24-12-17(19(27)25-20)11-18-21-6-7-22-18/h3-7,10,12H,8-9,11,13-14H2,1-2H3,(H,21,22)(H2,23,24,25,27)