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

Systemtic Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-methylsulfinylphenyl)propanamide Openeye Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-methylsulfinylphenyl)propanamide CAS Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-(4-methylsulfinylphenyl)propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-(4-methylsulfinylphenyl)propanamide Traditional Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-methylsulfinylphenyl)propionamide Formula: C26H34N6O2S MolecularWeight: 494.65216

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3=CC=C(C=C3)S(=O)C)N4C=CC=C4

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NC3=CC=C(C=C3)S(=O)C)N4C=CC=C4

InChI

InChI=1S/C26H34N6O2S/c1-3-27-26-30-23(18-24(31-26)32-15-7-8-16-32)29-22(17-19-9-5-4-6-10-19)25(33)28-20-11-13-21(14-12-20)35(2)34/h7-8,11-16,18-19,22H,3-6,9-10,17H2,1-2H3,(H,28,33)(H2,27,29,30,31)