ethyl 5-[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-oxidanyl-benzoate

Systemtic Name: ethyl 5-[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-oxidanyl-benzoate Openeye Name: ethyl 5-[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-hydroxy-benzoate CAS Name: 5-[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 5-[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-hydroxybenzoate Traditional Name: 5-[(2-amino-4-keto-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-hydroxy-benzoic acid ethyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NCC2=C3C(=NC(=NC3=O)N)N=C2)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NCC2=C3C(=NC(=NC3=O)N)N=C2)O

InChI

InChI=1S/C16H15N5O4/c1-2-25-15(24)10-5-9(3-4-11(10)22)18-6-8-7-19-13-12(8)14(23)21-16(17)20-13/h3-5,7,18,22H,2,6H2,1H3,(H2,17,21,23)