2-ethyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 2-ethyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-ethyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-6-phenethyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2-ethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-6-phenethylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-ethyl-5-[(2-keto-2-pyrrolidino-ethyl)thio]-6-phenethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-2-25-14-17-19(23-25)20(28)26(13-10-16-8-4-3-5-9-16)21(22-17)29-15-18(27)24-11-6-7-12-24/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3