1-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-ethylsulfanyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 1-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-ethylsulfanyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-ethylsulfanyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-(ethylthio)-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-ethylsulfanyl-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-(ethylthio)-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(C(=N2)SCC)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(C(=N2)SCC)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C19H24N4O4S/c1-4-12-6-8-14(9-7-12)27-11-13(24)10-23-15-16(18(21-23)28-5-2)22(3)19(26)20-17(15)25/h6-9,13,24H,4-5,10-11H2,1-3H3,(H,20,25,26)