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

Systemtic Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenethyl-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)N3CCCNCC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCNCC3)CCC4=CC=CC=C4

InChI

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