N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(4-bromophenyl)sulfanyl-N-ethyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(4-bromophenyl)sulfanyl-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenyl)sulfanyl-N-ethyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(4-bromophenyl)thio]-N-ethylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-bromophenyl)sulfanyl-N-ethylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-[(4-bromophenyl)thio]-N-ethyl-acetamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O3S/c1-2-25(17(27)13-30-16-10-8-15(22)9-11-16)18-19(23)26(21(29)24-20(18)28)12-14-6-4-3-5-7-14/h3-11H,2,12-13,23H2,1H3,(H,24,28,29)