3-cyclohexyl-2-[[2-(prop-2-enylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-cyclohexyl-2-[[2-(prop-2-enylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 2-[[2-(allylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(3-pyridylmethyl)propanamide CAS Name: 3-cyclohexyl-2-[[2-(prop-2-enylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(prop-2-enylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 2-[[2-(allylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(3-pyridylmethyl)propionamide Formula: C26H33N7O MolecularWeight: 459.58652

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CN=CC=C3)N4C=CC=C4

Isomeric SMILES

C=CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CN=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H33N7O/c1-2-12-28-26-31-23(17-24(32-26)33-14-6-7-15-33)30-22(16-20-9-4-3-5-10-20)25(34)29-19-21-11-8-13-27-18-21/h2,6-8,11,13-15,17-18,20,22H,1,3-5,9-10,12,16,19H2,(H,29,34)(H2,28,30,31,32)