3-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 3-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(COC2=CC=C(C=C2)C(C)(C)C)O)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(COC2=CC=C(C=C2)C(C)(C)C)O)C#N

InChI

InChI=1S/C20H25N3O4/c1-5-22-11-14(10-21)18(25)23(19(22)26)12-16(24)13-27-17-8-6-15(7-9-17)20(2,3)4/h6-9,11,16,24H,5,12-13H2,1-4H3