methyl N-[5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate

Systemtic Name: methyl N-[5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Openeye Name: methyl N-[5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate CAS Name: N-[5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate Traditional Name: N-[5-(3-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamic acid methyl ester Formula: C12H14BrN3O2 MolecularWeight: 312.16246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NCC(CN1)C2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)NC1=NCC(CN1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H14BrN3O2/c1-18-12(17)16-11-14-6-9(7-15-11)8-3-2-4-10(13)5-8/h2-5,9H,6-7H2,1H3,(H2,14,15,16,17)