N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromanylethanoyl)benzamide

Systemtic Name: N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromanylethanoyl)benzamide Openeye Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzamide CAS Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromo-1-oxoethyl)benzamide IUPAC Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzamide Traditional Name: N-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzamide Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O3/c23-13-18(28)14-8-10-16(11-9-14)20(29)25-12-4-7-17-19(15-5-2-1-3-6-15)26-22(24)27-21(17)30/h1-3,5-6,8-11H,4,7,12-13H2,(H,25,29)(H3,24,26,27,30)