ethyl 4-azanyl-2-[2-oxidanylidene-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propoxy]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propoxy]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propoxy]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propoxy]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propoxy]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[3-(2-keto-3H-benzimidazol-1-yl)propoxy]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C19H21N5O5S/c1-2-28-17(26)12-10-21-18(23-16(12)20)30-11-15(25)29-9-5-8-24-14-7-4-3-6-13(14)22-19(24)27/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,22,27)(H2,20,21,23)