ethyl 5-azanyl-2-methylsulfanyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(benzylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-[(phenylmethyl)amino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(benzylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(benzylamino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NCC3=CC=CC=C3)N

InChI

InChI=1S/C17H18N4O2S2/c1-3-23-16(22)13-12(18)11-14(19-9-10-7-5-4-6-8-10)20-17(24-2)21-15(11)25-13/h4-8H,3,9,18H2,1-2H3,(H,19,20,21)