methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]isonipecotic acid methyl ester Formula: C22H26N8O3 MolecularWeight: 450.49364

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28)