ethyl 3-azanyl-5-(2-methylsulfanylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylate

Systemtic Name: ethyl 3-azanyl-5-(2-methylsulfanylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylate Openeye Name: ethyl 3-amino-5-(2-methylsulfanylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylate CAS Name: 3-amino-5-[2-(methylthio)-4-pyrimidinyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-(2-methylsulfanylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylate Traditional Name: 3-amino-5-[2-(methylthio)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(CN(C2)C3=NC(=NC=C3)SC)C(=N1)N

Isomeric SMILES

CCOC(=O)N1C2=C(CN(C2)C3=NC(=NC=C3)SC)C(=N1)N

InChI

InChI=1S/C13H16N6O2S/c1-3-21-13(20)19-9-7-18(6-8(9)11(14)17-19)10-4-5-15-12(16-10)22-2/h4-5H,3,6-7H2,1-2H3,(H2,14,17)