8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(2-oxidanylidene-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(2-oxidanylidene-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-1-(2-oxo-3-phenoxy-propyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-1-(2-oxo-3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(2-oxo-3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-1-(2-keto-3-phenoxy-propyl)-3-methyl-xanthine Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N6O4/c1-3-4-13-29-20-21(26-23(29)28-12-8-9-17(25)14-28)27(2)24(33)30(22(20)32)15-18(31)16-34-19-10-6-5-7-11-19/h5-7,10-11,17H,8-9,12-16,25H2,1-2H3