2-methyl-4-[[2-[(3-methyl-1-oxidanyl-butan-2-yl)amino]-9-propan-2-yl-7H-purin-9-ium-6-yl]amino]phenol

Systemtic Name: 2-methyl-4-[[2-[(3-methyl-1-oxidanyl-butan-2-yl)amino]-9-propan-2-yl-7H-purin-9-ium-6-yl]amino]phenol Openeye Name: 4-[[2-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-9-isopropyl-7H-purin-9-ium-6-yl]amino]-2-methyl-phenol CAS Name: 4-[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-yl-7H-purin-9-ium-6-yl]amino]-2-methylphenol IUPAC Name: 4-[[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-propan-2-yl-7H-purin-9-ium-6-yl]amino]-2-methylphenol Traditional Name: 4-[[9-isopropyl-2-[(2-methyl-1-methylol-propyl)amino]-7H-purin-9-ium-6-yl]amino]-2-methyl-phenol Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC3=C2NC=[N+]3C(C)C)NC(CO)C(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=C2NC=[N+]3C(C)C)NC(CO)C(C)C)O

InChI

InChI=1S/C20H28N6O2/c1-11(2)15(9-27)23-20-24-18(22-14-6-7-16(28)13(5)8-14)17-19(25-20)26(10-21-17)12(3)4/h6-8,10-12,15,27H,9H2,1-5H3,(H3,22,23,24,25,28)/p+1