ethyl 2-[[6-azanyl-5-[(4-bromophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-bromophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[6-amino-5-[[(4-bromophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C17H19BrN4O4S MolecularWeight: 455.32616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN4O4S/c1-3-11(16(25)26-4-2)27-17-21-13(19)12(15(24)22-17)20-14(23)9-5-7-10(18)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,20,23)(H3,19,21,22,24)