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

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

C1CC(C(N(C1)C(=O)O)C(=O)O)N2C=C(C3=C2N=CN=C3N)C4=CC=CC=C4

Isomeric SMILES

C1CC(C(N(C1)C(=O)O)C(=O)O)N2C=C(C3=C2N=CN=C3N)C4=CC=CC=C4

InChI

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