4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC)C#N

InChI

InChI=1S/C21H24N4O3S/c1-13-17(11-22)21(24-14(2)23-13)29-12-20(26)25-9-5-6-18(25)16-10-15(27-3)7-8-19(16)28-4/h7-8,10,18H,5-6,9,12H2,1-4H3/t18-/m1/s1