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

Systemtic Name: ethyl 5-azanyl-4-(furan-3-yl)-2-pentylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(3-furyl)-2-pentylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(3-furanyl)-2-(pentylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(furan-3-yl)-2-pentylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(amylthio)-4-(3-furyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=COC=C3

Isomeric SMILES

CCCCCSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=COC=C3

InChI

InChI=1S/C18H21N3O3S2/c1-3-5-6-9-25-18-20-14(11-7-8-23-10-11)12-13(19)15(17(22)24-4-2)26-16(12)21-18/h7-8,10H,3-6,9,19H2,1-2H3