3-(2-hydroxyethylsulfanyl)-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-(2-hydroxyethylsulfanyl)-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 3-(2-hydroxyethylthio)-4-methyl-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 3-(2-hydroxyethylsulfanyl)-4-methyl-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-(2-hydroxyethylthio)-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C16H18N4O3S MolecularWeight: 346.40412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(N=C2SCCO)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(N=C2SCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3S/c1-19-13-12(14(22)17-16(19)23)20(18-15(13)24-10-9-21)8-7-11-5-3-2-4-6-11/h2-6,21H,7-10H2,1H3,(H,17,22,23)