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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6OS/c1-3-13-30(14-7-12-25)23-21(16-26-17-27-23)29-24(32)28-20-15-19(10-11-22(20)31-2)18-8-5-4-6-9-18/h4-6,8-11,15-17H,3,7,13-14H2,1-2H3,(H2,28,29,32)