3-methyl-7-[3-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]propyl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[3-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]propyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[3-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]propyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[3-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)propyl]-3-methyl-8-piperidino-xanthine Formula: C25H34N10O4 MolecularWeight: 538.60206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCN4C5=C(N=C4N6CCCCC6)N(C(=O)NC5=O)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCN4C5=C(N=C4N6CCCCC6)N(C(=O)NC5=O)C

InChI

InChI=1S/C25H34N10O4/c1-30-18-16(20(36)28-24(30)38)34(22(26-18)32-10-5-3-6-11-32)14-9-15-35-17-19(31(2)25(39)29-21(17)37)27-23(35)33-12-7-4-8-13-33/h3-15H2,1-2H3,(H,28,36,38)(H,29,37,39)