8-(3-azanylpiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-[(2-bromophenyl)methyl]-3-methyl-1-[2-oxo-2-(3-thienyl)ethyl]purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-[(2-bromophenyl)methyl]-3-methyl-1-[2-oxo-2-(3-thiophenyl)ethyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-(2-oxo-2-thiophen-3-ylethyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(2-bromobenzyl)-1-[2-keto-2-(3-thienyl)ethyl]-3-methyl-xanthine Formula: C24H25BrN6O3S MolecularWeight: 557.4627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CSC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CSC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5Br

InChI

InChI=1S/C24H25BrN6O3S/c1-28-21-20(22(33)31(24(28)34)13-19(32)16-8-10-35-14-16)30(11-15-5-2-3-7-18(15)25)23(27-21)29-9-4-6-17(26)12-29/h2-3,5,7-8,10,14,17H,4,6,9,11-13,26H2,1H3