1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(2-phenylphenyl)thiourea

Systemtic Name: 1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(2-phenylphenyl)thiourea Openeye Name: 1-[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]-3-(2-phenylphenyl)thiourea CAS Name: 1-[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]-3-(2-phenylphenyl)thiourea IUPAC Name: 1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(2-phenylphenyl)thiourea Traditional Name: 1-[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]-3-(2-phenylphenyl)thiourea Formula: C25H22N6OS MolecularWeight: 454.54678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=S)NC3=CN=CN=C3N(CCC#N)CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=S)NC3=CN=CN=C3N(CCC#N)CC4=CC=CO4

InChI

InChI=1S/C25H22N6OS/c26-13-7-14-31(17-20-10-6-15-32-20)24-23(16-27-18-28-24)30-25(33)29-22-12-5-4-11-21(22)19-8-2-1-3-9-19/h1-6,8-12,15-16,18H,7,14,17H2,(H2,29,30,33)