7-but-2-ynyl-3-methyl-1-(1,5-naphthyridin-2-ylmethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-3-methyl-1-(1,5-naphthyridin-2-ylmethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-methyl-1-(1,5-naphthyridin-2-ylmethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-methyl-1-(1,5-naphthyridin-2-ylmethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-methyl-1-(1,5-naphthyridin-2-ylmethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-methyl-1-(1,5-naphthyridin-2-ylmethyl)-8-piperazino-xanthine Formula: C23H24N8O2 MolecularWeight: 444.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=NC5=C(C=C4)N=CC=C5)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=NC5=C(C=C4)N=CC=C5)C

InChI

InChI=1S/C23H24N8O2/c1-3-4-12-30-19-20(27-22(30)29-13-10-24-11-14-29)28(2)23(33)31(21(19)32)15-16-7-8-17-18(26-16)6-5-9-25-17/h5-9,24H,10-15H2,1-2H3