1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(3-phenylmethoxyphenyl)thiourea

Systemtic Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(3-phenylmethoxyphenyl)thiourea Openeye Name: 1-(3-benzyloxyphenyl)-3-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]thiourea CAS Name: 1-[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]-3-(3-phenylmethoxyphenyl)thiourea IUPAC Name: 1-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-3-(3-phenylmethoxyphenyl)thiourea Traditional Name: 1-(3-benzoxyphenyl)-3-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]thiourea Formula: C24H26N6OS MolecularWeight: 446.56784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26N6OS/c1-2-13-30(14-7-12-25)23-22(16-26-18-27-23)29-24(32)28-20-10-6-11-21(15-20)31-17-19-8-4-3-5-9-19/h3-6,8-11,15-16,18H,2,7,13-14,17H2,1H3,(H2,28,29,32)