(phenylmethyl) 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H16ClN3O3S/c20-14-6-8-15(9-7-14)23-16(21)10-17(24)22-19(23)27-12-18(25)26-11-13-4-2-1-3-5-13/h1-10H,11-12,21H2