7-(2-methoxyethyl)-8-(4-piperidin-1-ylphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(4-piperidin-1-ylphenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-[4-(1-piperidyl)phenyl]-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-[4-(1-piperidinyl)phenyl]-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(4-piperidin-1-ylphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-(4-piperidinophenyl)-3-propyl-xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N4CCCCC4)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N4CCCCC4)CCOC

InChI

InChI=1S/C22H29N5O3/c1-3-11-27-20-18(21(28)24-22(27)29)26(14-15-30-2)19(23-20)16-7-9-17(10-8-16)25-12-5-4-6-13-25/h7-10H,3-6,11-15H2,1-2H3,(H,24,28,29)