N-[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N6O4S/c1-13-12-18(27)23-20(21-13)26-17(11-14(2)24-26)22-19(28)15-5-7-16(8-6-15)31(29,30)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,28)(H,21,23,27)