6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylic acid

Systemtic Name: 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylic acid Openeye Name: 6-(2,2-diphenylethylamino)-9-tetrahydropyran-2-yl-purine-2-carboxylic acid CAS Name: 6-(2,2-diphenylethylamino)-9-(2-oxanyl)-2-purinecarboxylic acid IUPAC Name: 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylic acid Traditional Name: 6-(2,2-diphenylethylamino)-9-tetrahydropyran-2-yl-purine-2-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H25N5O3/c31-25(32)23-28-22(21-24(29-23)30(16-27-21)20-13-7-8-14-33-20)26-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,19-20H,7-8,13-15H2,(H,31,32)(H,26,28,29)