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

Systemtic Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C16H24N6O2 MolecularWeight: 332.40076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCNCC3)N(C(=O)NC2=O)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCNCC3)N(C(=O)NC2=O)C)C

InChI

InChI=1S/C16H24N6O2/c1-11(2)5-9-22-12-13(20(3)16(24)19-14(12)23)18-15(22)21-8-4-6-17-7-10-21/h5,17H,4,6-10H2,1-3H3,(H,19,23,24)