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

Systemtic Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-phenacyl-xanthine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3/c1-23-16-15(17(27)22-19(23)28)25(12-14(26)13-6-3-2-4-7-13)18(21-16)24-10-5-8-20-9-11-24/h2-4,6-7,20H,5,8-12H2,1H3,(H,22,27,28)