3-ethylsulfanyl-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 3-ethylsulfanyl-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-ethylsulfanyl-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 3-(ethylthio)-4-methyl-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 3-ethylsulfanyl-4-methyl-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-(ethylthio)-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C2=C1N(C(=O)NC2=O)C)CCC3=CC=CC=C3

Isomeric SMILES

CCSC1=NN(C2=C1N(C(=O)NC2=O)C)CCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2S/c1-3-23-15-13-12(14(21)17-16(22)19(13)2)20(18-15)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,21,22)