methyl 2-[2-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(3-chloro-4-methyl-2-quinolyl)methylthio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC(=O)C=C(N3)CC(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC(=O)C=C(N3)CC(=O)OC)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-10-12-5-3-4-6-13(12)21-14(17(10)19)9-26-18-20-11(7-15(23)22-18)8-16(24)25-2/h3-7H,8-9H2,1-2H3,(H,20,22,23)