5-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-(furan-2-ylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-(furan-2-ylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[(4-dimethylaminophenyl)methyl]-N-(2-furylmethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-dimethylaminophenyl)methyl]-N-(2-furanylmethyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-[(4-dimethylaminophenyl)methyl]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-[4-(dimethylamino)benzyl]-N-(2-furfuryl)pyrimidine-4-carboxamide Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C26H25ClN4O2S/c1-30(2)21-12-10-19(11-13-21)16-31(17-22-9-6-14-33-22)25(32)24-23(27)15-28-26(29-24)34-18-20-7-4-3-5-8-20/h3-15H,16-18H2,1-2H3