phenethyl 3-(2-diazanyl-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 3-(2-diazanyl-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-(2-hydrazino-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-hydrazinyl-2-oxoethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-(2-hydrazinyl-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-hydrazino-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NN)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NN)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4S/c1-11-14-16(20-10-22(17(14)24)9-13(23)21-19)27-15(11)18(25)26-8-7-12-5-3-2-4-6-12/h2-6,10H,7-9,19H2,1H3,(H,21,23)