methyl 4-[(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C21H17N3O3S2/c1-27-20(26)15-9-7-13(8-10-15)11-29-21-23-18-17(19(25)24(21)22)16(12-28-18)14-5-3-2-4-6-14/h2-10,12H,11,22H2,1H3