ethyl 4-azanyl-2-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CC2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CC2=CC=CC=C2Br

InChI

InChI=1S/C17H19BrN4O3S/c1-3-25-16(24)12-8-20-17(21-15(12)19)26-10-14(23)22(2)9-11-6-4-5-7-13(11)18/h4-8H,3,9-10H2,1-2H3,(H2,19,20,21)