methyl 2-[4-[(2-azanyl-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(2-azanyl-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(2-amino-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-amino-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-amino-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-amino-6-butyl-4-keto-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)N)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)N)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H25N3O3/c1-3-4-9-20-19(21(27)26-23(24)25-20)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)22(28)29-2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H3,24,25,26,27)