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

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-4-(2-bromanylethanoyl)benzamide Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzamide CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-(2-bromo-1-oxoethyl)benzamide IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzamide Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzamide Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)C(=O)CBr

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)C(=O)CBr

InChI

InChI=1S/C17H19BrN4O3/c1-10-13(16(25)22-17(19)21-10)3-2-8-20-15(24)12-6-4-11(5-7-12)14(23)9-18/h4-7H,2-3,8-9H2,1H3,(H,20,24)(H3,19,21,22,25)