ethyl 2-[4-azanyl-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-azanyl-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-amino-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-[(4-bromophenyl)methyl]-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-(4-bromobenzyl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H16BrN3O2S/c1-2-21-13(20)9-22-15-18-8-11(14(17)19-15)7-10-3-5-12(16)6-4-10/h3-6,8H,2,7,9H2,1H3,(H2,17,18,19)