8-(3-azanylpiperidin-1-yl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3,7-dibenzyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3,7-dibenzylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3,7-dibenzyl-xanthine Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CC5=CC=CC=C5)N

Isomeric SMILES

C1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CC5=CC=CC=C5)N

InChI

InChI=1S/C24H26N6O2/c25-19-12-7-13-28(16-19)23-26-21-20(29(23)14-17-8-3-1-4-9-17)22(31)27-24(32)30(21)15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16,25H2,(H,27,31,32)