8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-[(2-phenylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-(2-phenylbenzyl)xanthine Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCNCC3)CC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCNCC3)CC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O2/c1-28-21-20(22(31)27-24(28)32)30(23(26-21)29-14-7-12-25-13-15-29)16-18-10-5-6-11-19(18)17-8-3-2-4-9-17/h2-6,8-11,25H,7,12-16H2,1H3,(H,27,31,32)