N-butyl-N-(cyanomethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-butyl-N-(cyanomethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-butyl-N-(cyanomethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-butyl-N-(cyanomethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide IUPAC Name: N-butyl-N-(cyanomethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-butyl-N-(cyanomethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide Formula: C17H18N6O MolecularWeight: 322.36442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#N)C(=O)C1=CC(=CN1)C2=C3C=CNC3=NC=N2

Isomeric SMILES

CCCCN(CC#N)C(=O)C1=CC(=CN1)C2=C3C=CNC3=NC=N2

InChI

InChI=1S/C17H18N6O/c1-2-3-7-23(8-5-18)17(24)14-9-12(10-20-14)15-13-4-6-19-16(13)22-11-21-15/h4,6,9-11,20H,2-3,7-8H2,1H3,(H,19,21,22)