N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C28H23N5O4S MolecularWeight: 525.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4COC5=CC=CC=C5O4)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4COC5=CC=CC=C5O4)CC6=CC=CC=C6

InChI

InChI=1S/C28H23N5O4S/c1-17-19(14-18-8-3-2-4-9-18)26(34)31-28(29-17)33-25(15-20(32-33)24-12-7-13-38-24)30-27(35)23-16-36-21-10-5-6-11-22(21)37-23/h2-13,15,23H,14,16H2,1H3,(H,30,35)(H,29,31,34)