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

Systemtic Name: 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]isonipecotamide Formula: C20H23N9O2 MolecularWeight: 421.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C20H23N9O2/c21-16-15-18(28-20(23)27-16)25-10-14(26-15)9-24-13-3-1-12(2-4-13)19(31)29-7-5-11(6-8-29)17(22)30/h1-4,10-11,24H,5-9H2,(H2,22,30)(H4,21,23,25,27,28)