N-[4-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]-2-bromanyl-ethanamide

Systemtic Name: N-[4-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]-2-bromanyl-ethanamide Openeye Name: N-[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]-2-bromo-acetamide CAS Name: N-[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]-2-bromoacetamide IUPAC Name: N-[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]-2-bromoacetamide Traditional Name: N-[4-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propoxy]phenyl]-2-bromo-acetamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCOC3=CC=C(C=C3)NC(=O)CBr

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCOC3=CC=C(C=C3)NC(=O)CBr

InChI

InChI=1S/C21H21BrN4O3/c22-13-18(27)24-15-8-10-16(11-9-15)29-12-4-7-17-19(14-5-2-1-3-6-14)25-21(23)26-20(17)28/h1-3,5-6,8-11H,4,7,12-13H2,(H,24,27)(H3,23,25,26,28)