ethyl 5-azanyl-4-(furan-3-yl)-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(furan-3-yl)-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-benzylsulfanyl-4-(3-furyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(3-furanyl)-2-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-benzylsulfanyl-4-(furan-3-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(benzylthio)-4-(3-furyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=COC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=COC=C4)N

InChI

InChI=1S/C20H17N3O3S2/c1-2-26-19(24)17-15(21)14-16(13-8-9-25-10-13)22-20(23-18(14)28-17)27-11-12-6-4-3-5-7-12/h3-10H,2,11,21H2,1H3