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

Systemtic Name: 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-ethyl-3-(4-methoxyphenyl)-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-ethyl-3-(4-methoxyphenyl)-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC=CC(=N3)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC=CC(=N3)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21N5O2S/c1-4-17-19(14-5-7-16(28-3)8-6-14)20-24-15(11-18(27)26(20)25-17)12-29-21-22-10-9-13(2)23-21/h5-11,25H,4,12H2,1-3H3