(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)N)C

InChI

InChI=1S/C16H14ClN3O3S/c1-7-8(2)24-15-13(7)14(21)19-12(20-15)6-23-16(22)9-3-4-10(17)11(18)5-9/h3-5H,6,18H2,1-2H3,(H,19,20,21)