methyl 3-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC2=C(OC=C2)C(=O)OC)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC2=C(OC=C2)C(=O)OC)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-3-14-15(11-4-6-13(20)7-5-11)17(21)23-19(22-14)27-10-12-8-9-26-16(12)18(24)25-2/h4-9H,3,10H2,1-2H3,(H2,21,22,23)