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

Systemtic Name: 3-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[2-(4-cyclohexylphenyl)-2-keto-ethyl]-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)C3CCCCC3)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)C3CCCCC3)C#N

InChI

InChI=1S/C21H23N3O3/c1-2-23-13-18(12-22)20(26)24(21(23)27)14-19(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,13,15H,2-7,14H2,1H3