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

Systemtic Name: 8-(3-azanylazepan-1-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-aminoazepan-1-yl)-7-benzyl-3-methyl-purine-2,6-dione CAS Name: 8-(3-amino-1-azepanyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminoazepan-1-yl)-7-benzyl-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminoazepan-1-yl)-7-benzyl-3-methyl-xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC(C3)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC(C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-23-16-15(17(26)22-19(23)27)25(11-13-7-3-2-4-8-13)18(21-16)24-10-6-5-9-14(20)12-24/h2-4,7-8,14H,5-6,9-12,20H2,1H3,(H,22,26,27)