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

Systemtic Name: N-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propyl]-3-(bromomethyl)benzamide Openeye Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-3-(bromomethyl)benzamide CAS Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-3-(bromomethyl)benzamide IUPAC Name: N-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propyl]-3-(bromomethyl)benzamide Traditional Name: N-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propyl]-3-(bromomethyl)benzamide Formula: C16H19BrN4O2 MolecularWeight: 379.25166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O2/c1-10-13(15(23)21-16(18)20-10)6-3-7-19-14(22)12-5-2-4-11(8-12)9-17/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,22)(H3,18,20,21,23)