N-(2-iodanyl-4-propan-2-yl-phenyl)-4-methyl-6-(4-prop-2-enylmorpholin-4-ium-4-yl)pyrimidin-2-amine

Systemtic Name: N-(2-iodanyl-4-propan-2-yl-phenyl)-4-methyl-6-(4-prop-2-enylmorpholin-4-ium-4-yl)pyrimidin-2-amine Openeye Name: 4-(4-allylmorpholin-4-ium-4-yl)-N-(2-iodo-4-isopropyl-phenyl)-6-methyl-pyrimidin-2-amine CAS Name: N-(2-iodo-4-propan-2-ylphenyl)-4-methyl-6-(4-prop-2-enyl-4-morpholin-4-iumyl)-2-pyrimidinamine IUPAC Name: N-(2-iodo-4-propan-2-ylphenyl)-4-methyl-6-(4-prop-2-enylmorpholin-4-ium-4-yl)pyrimidin-2-amine Traditional Name: [4-(4-allylmorpholin-4-ium-4-yl)-6-methyl-pyrimidin-2-yl]-(2-iodo-4-isopropyl-phenyl)amine Formula: C21H28IN4O+ MolecularWeight: 479.37769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=C(C=C(C=C2)C(C)C)I)[N+]3(CCOCC3)CC=C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=C(C=C(C=C2)C(C)C)I)[N+]3(CCOCC3)CC=C

InChI

InChI=1S/C21H28IN4O/c1-5-8-26(9-11-27-12-10-26)20-13-16(4)23-21(25-20)24-19-7-6-17(15(2)3)14-18(19)22/h5-7,13-15H,1,8-12H2,2-4H3,(H,23,24,25)/q+1