methyl 4-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NCCCC(=O)OC)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NCCCC(=O)OC)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H23ClN4O3S/c1-3-14-17(12-6-8-13(20)9-7-12)18(21)24-19(23-14)28-11-15(25)22-10-4-5-16(26)27-2/h6-9H,3-5,10-11H2,1-2H3,(H,22,25)(H2,21,23,24)