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

Systemtic Name: 2-ethyl-6-[(4-methoxyphenyl)methyl]-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-ethyl-6-[(4-methoxyphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-ethyl-6-[(4-methoxyphenyl)methyl]-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2-ethyl-6-[(4-methoxyphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-ethyl-5-[(2-keto-2-pyrrolidino-ethyl)thio]-6-p-anisyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5O3S/c1-3-25-13-17-19(23-25)20(28)26(12-15-6-8-16(29-2)9-7-15)21(22-17)30-14-18(27)24-10-4-5-11-24/h6-9,13H,3-5,10-12,14H2,1-2H3