pentyl 3-[6-[(E)-2-(4-aminophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: pentyl 3-[6-[(E)-2-(4-aminophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: pentyl 3-[6-[(E)-2-(4-aminophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-[(E)-2-(4-aminophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid pentyl ester IUPAC Name: pentyl 3-[6-[(E)-2-(4-aminophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[6-[(E)-2-(4-aminophenyl)prop-1-enyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]propionic acid amyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCC1=C(NC(=NC1=O)C)C=C(C)C2=CC=C(C=C2)N

Isomeric SMILES

CCCCCOC(=O)CCC1=C(NC(=NC1=O)C)/C=C(\C)/C2=CC=C(C=C2)N

InChI

InChI=1S/C22H29N3O3/c1-4-5-6-13-28-21(26)12-11-19-20(24-16(3)25-22(19)27)14-15(2)17-7-9-18(23)10-8-17/h7-10,14H,4-6,11-13,23H2,1-3H3,(H,24,25,27)/b15-14+