ethyl 2-[4-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-6-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[4-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methyl-6-oxo-1-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methyl-6-oxopyrimidin-1-yl]acetate Traditional Name: 2-[4-butyl-5-(3-cyano-4-phenyl-benzyl)-6-keto-2-methyl-pyrimidin-1-yl]acetic acid ethyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C(=N1)C)CC(=O)OCC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(C(=N1)C)CC(=O)OCC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H29N3O3/c1-4-6-12-25-24(27(32)30(19(3)29-25)18-26(31)33-5-2)16-20-13-14-23(22(15-20)17-28)21-10-8-7-9-11-21/h7-11,13-15H,4-6,12,16,18H2,1-3H3