8-(1,4-diazepan-1-yl)-1,3,7-tris(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-1,3,7-tris(phenylmethyl)purine-2,6-dione Openeye Name: 1,3,7-tribenzyl-8-(1,4-diazepan-1-yl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-1,3,7-tris(phenylmethyl)purine-2,6-dione IUPAC Name: 1,3,7-tribenzyl-8-(1,4-diazepan-1-yl)purine-2,6-dione Traditional Name: 1,3,7-tribenzyl-8-(1,4-diazepan-1-yl)xanthine Formula: C31H32N6O2 MolecularWeight: 520.62478

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CNCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H32N6O2/c38-29-27-28(33-30(34-19-10-17-32-18-20-34)35(27)21-24-11-4-1-5-12-24)36(22-25-13-6-2-7-14-25)31(39)37(29)23-26-15-8-3-9-16-26/h1-9,11-16,32H,10,17-23H2