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

Systemtic Name: tert-butyl 2-[4-[(2-azanyl-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

Click to see the large picture

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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-5-6-11-22-21(23(30)29-25(27)28-22)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)24(31)32-26(2,3)4/h7-10,12-15H,5-6,11,16H2,1-4H3,(H3,27,28,29,30)