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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-[(2-bromophenyl)methyl]-3-methyl-1-(2-oxo-1-phenyl-pyrrolidin-3-yl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-[(2-bromophenyl)methyl]-3-methyl-1-(2-oxo-1-phenyl-3-pyrrolidinyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-3-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(2-bromobenzyl)-1-(2-keto-1-phenyl-pyrrolidin-3-yl)-3-methyl-xanthine Formula: C28H30BrN7O3 MolecularWeight: 592.4869

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C3CCN(C3=O)C4=CC=CC=C4)N(C(=N2)N5CCCC(C5)N)CC6=CC=CC=C6Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C3CCN(C3=O)C4=CC=CC=C4)N(C(=N2)N5CCCC(C5)N)CC6=CC=CC=C6Br

InChI

InChI=1S/C28H30BrN7O3/c1-32-24-23(26(38)36(28(32)39)22-13-15-34(25(22)37)20-10-3-2-4-11-20)35(16-18-8-5-6-12-21(18)29)27(31-24)33-14-7-9-19(30)17-33/h2-6,8,10-12,19,22H,7,9,13-17,30H2,1H3