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

Systemtic Name: ethyl 4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl-ethanoyl-amino]benzoate Openeye Name: ethyl 4-[acetyl-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]amino]benzoate CAS Name: 4-[acetyl-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[acetyl-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl]amino]benzoate Traditional Name: 4-[acetyl-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethyl]amino]benzoic acid ethyl ester Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O4/c1-3-29-18(28)12-4-6-14(7-5-12)25(11(2)26)9-8-13-10-21-16-15(22-13)17(27)24-19(20)23-16/h4-7,10H,3,8-9H2,1-2H3,(H3,20,21,23,24,27)