N-[(4-cyanophenyl)methyl]-3-cyclopentyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-3-cyclopentyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide Openeye Name: N-[(4-cyanophenyl)methyl]-3-cyclopentyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide CAS Name: N-[(4-cyanophenyl)methyl]-3-cyclopentyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: N-[(4-cyanophenyl)methyl]-3-cyclopentyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]propanamide Traditional Name: N-(4-cyanobenzyl)-3-cyclopentyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propionamide Formula: C25H29N7O MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(CC2CCCC2)C(=O)NCC3=CC=C(C=C3)C#N)N4C=CC=C4

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(CC2CCCC2)C(=O)NCC3=CC=C(C=C3)C#N)N4C=CC=C4

InChI

InChI=1S/C25H29N7O/c1-27-25-30-22(15-23(31-25)32-12-4-5-13-32)29-21(14-18-6-2-3-7-18)24(33)28-17-20-10-8-19(16-26)9-11-20/h4-5,8-13,15,18,21H,2-3,6-7,14,17H2,1H3,(H,28,33)(H2,27,29,30,31)