1-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-3-(2-piperidin-1-ylethyl)thiourea

Systemtic Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-3-(2-piperidin-1-ylethyl)thiourea Openeye Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-3-[2-(1-piperidyl)ethyl]thiourea CAS Name: 1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-5-pyrimidinyl]-3-[2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-3-(2-piperidin-1-ylethyl)thiourea Traditional Name: 1-[4-[4-(2-fluorophenyl)piperazino]pyrimidin-5-yl]-3-(2-piperidinoethyl)thiourea Formula: C22H30FN7S MolecularWeight: 443.583903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=S)NC2=CN=CN=C2N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)CCNC(=S)NC2=CN=CN=C2N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H30FN7S/c23-18-6-2-3-7-20(18)29-12-14-30(15-13-29)21-19(16-24-17-26-21)27-22(31)25-8-11-28-9-4-1-5-10-28/h2-3,6-7,16-17H,1,4-5,8-15H2,(H2,25,27,31)