7-methyl-3-(3-methylbutylsulfanyl)-2-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 7-methyl-3-(3-methylbutylsulfanyl)-2-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-isopentylsulfanyl-7-methyl-2-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 7-methyl-3-(3-methylbutylthio)-2-propylpyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 7-methyl-3-(3-methylbutylsulfanyl)-2-propylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-(isoamylthio)-7-methyl-2-propyl-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2C(=O)NC(=O)N(C2=N1)C)SCCC(C)C

Isomeric SMILES

CCCN1C(=C2C(=O)NC(=O)N(C2=N1)C)SCCC(C)C

InChI

InChI=1S/C14H22N4O2S/c1-5-7-18-13(21-8-6-9(2)3)10-11(16-18)17(4)14(20)15-12(10)19/h9H,5-8H2,1-4H3,(H,15,19,20)