5-[(Z)-(6-oxidanylidene-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[(Z)-(6-oxidanylidene-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(Z)-[6-oxo-4-(1-piperidyl)-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(Z)-[6-oxo-4-(1-piperidinyl)-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[(Z)-(6-oxo-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(Z)-(6-keto-4-piperidino-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2C(=CC4=CC=C(N4)C(=O)O)C(=O)N3

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2/C(=C/C4=CC=C(N4)C(=O)O)/C(=O)N3

InChI

InChI=1S/C17H17N5O3/c23-16-11(8-10-4-5-12(20-10)17(24)25)13-14(21-16)18-9-19-15(13)22-6-2-1-3-7-22/h4-5,8-9,20H,1-3,6-7H2,(H,24,25)(H,18,19,21,23)/b11-8-