8-(3-azanylazepan-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylazepan-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-aminoazepan-1-yl)-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-azepanyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminoazepan-1-yl)-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminoazepan-1-yl)-7-benzyl-1,3-dimethyl-xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC(C3)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC(C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O2/c1-23-17-16(18(27)24(2)20(23)28)26(12-14-8-4-3-5-9-14)19(22-17)25-11-7-6-10-15(21)13-25/h3-5,8-9,15H,6-7,10-13,21H2,1-2H3