3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]propanamide

Systemtic Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[4-(methylthio)benzyl]propionamide Formula: C27H36N6OS MolecularWeight: 492.67934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N6OS/c1-3-28-27-31-24(18-25(32-27)33-15-7-8-16-33)30-23(17-20-9-5-4-6-10-20)26(34)29-19-21-11-13-22(35-2)14-12-21/h7-8,11-16,18,20,23H,3-6,9-10,17,19H2,1-2H3,(H,29,34)(H2,28,30,31,32)