diethyl 5-azanyl-3-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18N4O4S3 MolecularWeight: 438.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC(=C3C=CSC3=N2)N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC(=C3C=CSC3=N2)N)C(=O)OCC)N

InChI

InChI=1S/C17H18N4O4S3/c1-3-24-15(22)10-9(11(28-13(10)19)16(23)25-4-2)7-27-17-20-12(18)8-5-6-26-14(8)21-17/h5-6H,3-4,7,19H2,1-2H3,(H2,18,20,21)