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

Systemtic Name: methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]isonipecotic acid methyl ester Formula: C21H24N8O3 MolecularWeight: 436.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28)