2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-[3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4)N

InChI

InChI=1S/C21H21N5O3S/c1-13-10-19(22)24-21(23-13)30-12-20(27)26-17(18-4-3-9-29-18)11-16(25-26)14-5-7-15(28-2)8-6-14/h3-10,17H,11-12H2,1-2H3,(H2,22,23,24)