4-[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid

Systemtic Name: 4-[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid Openeye Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid CAS Name: 4-[4-amino-5-(3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]piperidine-1,2-dicarboxylic acid IUPAC Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid Traditional Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCN(C(C4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCN(C(C4)C(=O)O)C(=O)O

InChI

InChI=1S/C20H21N5O5/c1-30-13-4-2-3-11(7-13)14-9-25(18-16(14)17(21)22-10-23-18)12-5-6-24(20(28)29)15(8-12)19(26)27/h2-4,7,9-10,12,15H,5-6,8H2,1H3,(H,26,27)(H,28,29)(H2,21,22,23)