1-[8-[(3-chlorophenyl)-pyrrolidin-3-yl-amino]-7H-purin-9-ium-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol

Systemtic Name: 1-[8-[(3-chlorophenyl)-pyrrolidin-3-yl-amino]-7H-purin-9-ium-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol Openeye Name: 1-[8-(3-chloro-N-pyrrolidin-3-yl-anilino)-7H-purin-9-ium-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol CAS Name: 1-[8-[3-chloro-N-(3-pyrrolidinyl)anilino]-7H-purin-9-ium-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol IUPAC Name: 1-[8-(3-chloro-N-pyrrolidin-3-ylanilino)-7H-purin-9-ium-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol Traditional Name: 1-[8-(3-chloro-N-pyrrolidin-3-yl-anilino)-7H-purin-9-ium-9-yl]-5-methylol-cyclopentane-1,2-diol Formula: C21H26ClN6O3+ MolecularWeight: 445.92254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CO)([N+]2=C(NC3=CN=CN=C32)N(C4CCNC4)C5=CC(=CC=C5)Cl)O)O

Isomeric SMILES

C1CC(C(C1CO)([N+]2=C(NC3=CN=CN=C32)N(C4CCNC4)C5=CC(=CC=C5)Cl)O)O

InChI

InChI=1S/C21H25ClN6O3/c22-14-2-1-3-15(8-14)27(16-6-7-23-9-16)20-26-17-10-24-12-25-19(17)28(20)21(31)13(11-29)4-5-18(21)30/h1-3,8,10,12-13,16,18,23,29-31H,4-7,9,11H2/p+1