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

Systemtic Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(1-oxidanylpyridin-1-ium-4-yl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(1-hydroxy-4-pyridin-1-iumyl)methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[2-(cyclopropylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]propionamide Formula: C26H34N7O2+ MolecularWeight: 476.59386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC2=CC=[N+](C=C2)O)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC2=CC=[N+](C=C2)O)NC3=NC(=NC(=C3)N4C=CC=C4)NC5CC5

InChI

InChI=1S/C26H33N7O2/c34-25(27-18-20-10-14-33(35)15-11-20)22(16-19-6-2-1-3-7-19)29-23-17-24(32-12-4-5-13-32)31-26(30-23)28-21-8-9-21/h4-5,10-15,17,19,21-22H,1-3,6-9,16,18H2,(H3-,27,28,29,30,31,34,35)/p+1