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

Systemtic Name: 5-chloranyl-N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfanyl-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfanyl-N-(2-furylmethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-dimethylaminophenyl)methyl]-2-(ethylthio)-N-(2-furanylmethyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfanyl-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(dimethylamino)benzyl]-2-(ethylthio)-N-(2-furfuryl)pyrimidine-4-carboxamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)N(C)C)CC3=CC=CO3)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)N(C)C)CC3=CC=CO3)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-4-29-21-23-12-18(22)19(24-21)20(27)26(14-17-6-5-11-28-17)13-15-7-9-16(10-8-15)25(2)3/h5-12H,4,13-14H2,1-3H3