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

Systemtic Name: ethyl 5-azanyl-2-pentylsulfanyl-4-thiophen-3-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-pentylsulfanyl-4-(3-thienyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(pentylthio)-4-(3-thiophenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-pentylsulfanyl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(amylthio)-4-(3-thienyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H21N3O2S3 MolecularWeight: 407.57324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S3/c1-3-5-6-8-25-18-20-14(11-7-9-24-10-11)12-13(19)15(17(22)23-4-2)26-16(12)21-18/h7,9-10H,3-6,8,19H2,1-2H3