8-(3-azanylpiperidin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1,3-dimethyl-xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-22-16-15(17(26)23(2)19(22)27)25(11-13-7-4-3-5-8-13)18(21-16)24-10-6-9-14(20)12-24/h3-5,7-8,14H,6,9-12,20H2,1-2H3