ethyl 1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2,4-diaminopteridin-6-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2,4-diamino-6-pteridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,4-diaminopteridin-6-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2,4-diaminopteridin-6-yl)methyl]isonipecotic acid ethyl ester Formula: C15H21N7O2 MolecularWeight: 331.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C15H21N7O2/c1-2-24-14(23)9-3-5-22(6-4-9)8-10-7-18-13-11(19-10)12(16)20-15(17)21-13/h7,9H,2-6,8H2,1H3,(H4,16,17,18,20,21)