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

Systemtic Name: 3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CCCOC2=CC=C(C=C2)C(C)(C)C)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CCCOC2=CC=C(C=C2)C(C)(C)C)C#N

InChI

InChI=1S/C20H25N3O3/c1-5-22-14-15(13-21)18(24)23(19(22)25)11-6-12-26-17-9-7-16(8-10-17)20(2,3)4/h7-10,14H,5-6,11-12H2,1-4H3