ethyl 4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl]benzoate

Systemtic Name: ethyl 4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl]benzoate Openeye Name: ethyl 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoate CAS Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]benzoate Traditional Name: 4-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethyl]benzoic acid ethyl ester Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C17H17N5O3/c1-2-25-16(24)11-6-3-10(4-7-11)5-8-12-9-19-14-13(20-12)15(23)22-17(18)21-14/h3-4,6-7,9H,2,5,8H2,1H3,(H3,18,19,21,22,23)