8-(3-azanylpiperidin-1-yl)-7-(3-methylbut-2-enyl)-1-phenacyl-3H-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-(3-methylbut-2-enyl)-1-phenacyl-3H-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-(3-methylbut-2-enyl)-1-phenacyl-3H-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-(3-methylbut-2-enyl)-1-phenacyl-3H-purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-(3-methylbut-2-enyl)-1-phenacyl-3H-purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(NC(=O)N(C2=O)CC(=O)C3=CC=CC=C3)N=C1N4CCCC(C4)N)C

Isomeric SMILES

CC(=CCN1C2=C(NC(=O)N(C2=O)CC(=O)C3=CC=CC=C3)N=C1N4CCCC(C4)N)C

InChI

InChI=1S/C23H28N6O3/c1-15(2)10-12-28-19-20(25-22(28)27-11-6-9-17(24)13-27)26-23(32)29(21(19)31)14-18(30)16-7-4-3-5-8-16/h3-5,7-8,10,17H,6,9,11-14,24H2,1-2H3,(H,26,32)