ethyl (2E)-2-(2-azanyl-4-butoxy-5H-pteridin-6-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-(2-azanyl-4-butoxy-5H-pteridin-6-ylidene)-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-(2-amino-4-butoxy-5H-pteridin-6-ylidene)-3-oxo-butanoate CAS Name: (2E)-2-(2-amino-4-butoxy-5H-pteridin-6-ylidene)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(2-amino-4-butoxy-5H-pteridin-6-ylidene)-3-oxobutanoate Traditional Name: (2E)-2-(2-amino-4-butoxy-5H-pteridin-6-ylidene)-3-keto-butyric acid ethyl ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC2=C1NC(=C(C(=O)C)C(=O)OCC)C=N2)N

Isomeric SMILES

CCCCOC1=NC(=NC2=C1N/C(=C(\C(=O)C)/C(=O)OCC)/C=N2)N

InChI

InChI=1S/C16H21N5O4/c1-4-6-7-25-14-12-13(20-16(17)21-14)18-8-10(19-12)11(9(3)22)15(23)24-5-2/h8,19H,4-7H2,1-3H3,(H2,17,20,21)/b11-10+