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

Systemtic Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(1-oxidanylpyridin-1-ium-4-yl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(1-hydroxy-4-pyridin-1-iumyl)methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]propionamide Formula: C25H34N7O2+ MolecularWeight: 464.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=[N+](C=C3)O)N4C=CC=C4

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=[N+](C=C3)O)N4C=CC=C4

InChI

InChI=1S/C25H33N7O2/c1-2-26-25-29-22(17-23(30-25)31-12-6-7-13-31)28-21(16-19-8-4-3-5-9-19)24(33)27-18-20-10-14-32(34)15-11-20/h6-7,10-15,17,19,21H,2-5,8-9,16,18H2,1H3,(H3-,26,27,28,29,30,33,34)/p+1