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

Systemtic Name: 2-[[6-[(3-chloranyl-4-methyl-phenyl)amino]-9-propan-2-yl-7H-purin-9-ium-2-yl]amino]-3-methyl-butan-1-ol Openeye Name: 2-[[6-(3-chloro-4-methyl-anilino)-9-isopropyl-7H-purin-9-ium-2-yl]amino]-3-methyl-butan-1-ol CAS Name: 2-[[6-(3-chloro-4-methylanilino)-9-propan-2-yl-7H-purin-9-ium-2-yl]amino]-3-methyl-1-butanol IUPAC Name: 2-[[6-(3-chloro-4-methylanilino)-9-propan-2-yl-7H-purin-9-ium-2-yl]amino]-3-methylbutan-1-ol Traditional Name: 2-[[6-(3-chloro-4-methyl-anilino)-9-isopropyl-7H-purin-9-ium-2-yl]amino]-3-methyl-butan-1-ol Formula: C20H28ClN6O+ MolecularWeight: 403.92892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN6O/c1-11(2)16(9-28)24-20-25-18(23-14-7-6-13(5)15(21)8-14)17-19(26-20)27(10-22-17)12(3)4/h6-8,10-12,16,28H,9H2,1-5H3,(H2,23,24,25,26)/p+1