3-methyl-7-(3-phenylpropyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-phenylpropyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-phenylpropyl)-8-piperidino-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-23-17-16(18(26)22-20(23)27)25(14-8-11-15-9-4-2-5-10-15)19(21-17)24-12-6-3-7-13-24/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,22,26,27)