2-[3-[4-(6-methyl-2-pyrrol-1-yl-pyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(6-methyl-2-pyrrol-1-yl-pyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(6-methyl-2-pyrrol-1-yl-pyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-[6-methyl-2-(1-pyrrolyl)-4-pyrimidinyl]-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(6-methyl-2-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(6-methyl-2-pyrrol-1-yl-pyrimidin-4-yl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C20H25N7OS MolecularWeight: 411.5238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2)N3CCN(CC3)CCCSC4=NC=CC(=O)N4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2)N3CCN(CC3)CCCSC4=NC=CC(=O)N4

InChI

InChI=1S/C20H25N7OS/c1-16-15-17(23-19(22-16)27-8-2-3-9-27)26-12-10-25(11-13-26)7-4-14-29-20-21-6-5-18(28)24-20/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,21,24,28)