1-[[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)pyrimidin-2-yl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)pyrimidin-2-yl]amino]-3-phenyl-thiourea Openeye Name: 1-[[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)pyrimidin-2-yl]amino]-3-phenyl-thiourea CAS Name: 1-[[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2-pyrimidinyl]amino]-3-phenylthiourea IUPAC Name: 1-[[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)pyrimidin-2-yl]amino]-3-phenylthiourea Traditional Name: 1-[[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)pyrimidin-2-yl]amino]-3-phenyl-thiourea Formula: C25H22ClN5S MolecularWeight: 459.99368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)Cl)NNC(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)Cl)NNC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H22ClN5S/c1-16-8-9-19(14-17(16)2)23-15-22(18-10-12-20(26)13-11-18)28-24(29-23)30-31-25(32)27-21-6-4-3-5-7-21/h3-15H,1-2H3,(H2,27,31,32)(H,28,29,30)