N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(2,4-diketo-1H-pyrimidin-5-yl)pyrazole-4-sulfonamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CNC(=O)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CNC(=O)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4S/c1-18(2,3)15-14(11-23(21-15)10-12-7-5-4-6-8-12)28(26,27)22-13-9-19-17(25)20-16(13)24/h4-9,11,22H,10H2,1-3H3,(H2,19,20,24,25)