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

Systemtic Name: 4-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1,2-dicarboxylic acid Openeye Name: 4-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1,2-dicarboxylic acid CAS Name: 4-(4-amino-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl)piperidine-1,2-dicarboxylic acid IUPAC Name: 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1,2-dicarboxylic acid Traditional Name: 4-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1,2-dicarboxylic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4/c20-16-15-13(11-4-2-1-3-5-11)9-24(17(15)22-10-21-16)12-6-7-23(19(27)28)14(8-12)18(25)26/h1-5,9-10,12,14H,6-8H2,(H,25,26)(H,27,28)(H2,20,21,22)