2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C22H23N5O3S2/c1-13-9-20(23)25-22(24-13)32-12-21(28)27-16(11-15(26-27)19-5-4-8-31-19)14-6-7-17(29-2)18(10-14)30-3/h4-10,16H,11-12H2,1-3H3,(H2,23,24,25)/t16-/m1/s1