ethyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propylsulfanyl]benzoate

Systemtic Name: ethyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propylsulfanyl]benzoate Openeye Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylsulfanyl]benzoate CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylthio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylsulfanyl]benzoate Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propylthio]benzoic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C16H20N4O3S/c1-2-23-15(22)10-5-7-11(8-6-10)24-9-3-4-12-13(17)19-16(18)20-14(12)21/h5-8H,2-4,9H2,1H3,(H5,17,18,19,20,21)