8-chloranyl-1-methyl-2,6-bis(oxidanylidene)-7H-purine-3-carboxylic acid; 4-(diphenylmethyl)oxy-1-methyl-piperidine

Systemtic Name: 8-chloranyl-1-methyl-2,6-bis(oxidanylidene)-7H-purine-3-carboxylic acid; 4-(diphenylmethyl)oxy-1-methyl-piperidine Openeye Name: 4-benzhydryloxy-1-methyl-piperidine; 8-chloro-1-methyl-2,6-dioxo-7H-purine-3-carboxylic acid CAS Name: 8-chloro-1-methyl-2,6-dioxo-7H-purine-3-carboxylic acid; 4-(diphenylmethyl)oxy-1-methylpiperidine IUPAC Name: 4-benzhydryloxy-1-methylpiperidine; 8-chloro-1-methyl-2,6-dioxo-7H-purine-3-carboxylic acid Traditional Name: 4-benzhydryloxy-1-methyl-piperidine; 8-chloro-2,6-diketo-1-methyl-7H-purine-3-carboxylic acid Formula: C26H28ClN5O5 MolecularWeight: 525.98402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.CN1C(=O)C2=C(N=C(N2)Cl)N(C1=O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.CN1C(=O)C2=C(N=C(N2)Cl)N(C1=O)C(=O)O

InChI

InChI=1S/C19H23NO.C7H5ClN4O4/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-11-4(13)2-3(10-5(8)9-2)12(6(11)14)7(15)16/h2-11,18-19H,12-15H2,1H3;1H3,(H,9,10)(H,15,16)