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

Systemtic Name: 4-[4-azanyl-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid Openeye Name: 4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid CAS Name: 4-[4-amino-5-(3-hydroxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]piperidine-1,2-dicarboxylic acid IUPAC Name: 4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid Traditional Name: 4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1,2-dicarboxylic acid Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(CC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H19N5O5/c20-16-15-13(10-2-1-3-12(25)6-10)8-24(17(15)22-9-21-16)11-4-5-23(19(28)29)14(7-11)18(26)27/h1-3,6,8-9,11,14,25H,4-5,7H2,(H,26,27)(H,28,29)(H2,20,21,22)