3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-1-cyclopropyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-cyclopropyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-1-cyclopropyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C(=O)C(=CN(C2=O)C3CC3)C#N)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C(=O)C(=CN(C2=O)C3CC3)C#N)O

InChI

InChI=1S/C22H27N3O4/c1-14-9-16(22(2,3)4)5-8-19(14)29-13-18(26)12-25-20(27)15(10-23)11-24(21(25)28)17-6-7-17/h5,8-9,11,17-18,26H,6-7,12-13H2,1-4H3