3-(3,4-dimethoxyphenyl)-2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H21N5O3S/c1-12-7-8-22-21(23-12)30-11-15-10-18(27)26-20(24-15)19(13(2)25-26)14-5-6-16(28-3)17(9-14)29-4/h5-10,25H,11H2,1-4H3