5-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-3-oxopropyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-[3-[4-(2,5-dimethoxybenzyl)piperazino]-3-keto-propyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H30N4O4S/c1-15-18(21(28)24-22(23-15)31-4)6-8-20(27)26-11-9-25(10-12-26)14-16-13-17(29-2)5-7-19(16)30-3/h5,7,13H,6,8-12,14H2,1-4H3,(H,23,24,28)