7-[4-[5-(2-diethylaminoethyl)-1,2,4-oxadiazol-3-yl]butyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[4-[5-(2-diethylaminoethyl)-1,2,4-oxadiazol-3-yl]butyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[4-[5-(2-diethylaminoethyl)-1,2,4-oxadiazol-3-yl]butyl]-3-methyl-purine-2,6-dione CAS Name: 7-[4-[5-(2-diethylaminoethyl)-1,2,4-oxadiazol-3-yl]butyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[4-[5-(2-diethylaminoethyl)-1,2,4-oxadiazol-3-yl]butyl]-3-methylpurine-2,6-dione Traditional Name: 7-[4-[5-(2-diethylaminoethyl)-1,2,4-oxadiazol-3-yl]butyl]-3-methyl-xanthine Formula: C18H27N7O3 MolecularWeight: 389.45208

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=NC(=NO1)CCCCN2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CCN(CC)CCC1=NC(=NO1)CCCCN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChI=1S/C18H27N7O3/c1-4-24(5-2)11-9-14-20-13(22-28-14)8-6-7-10-25-12-19-16-15(25)17(26)21-18(27)23(16)3/h12H,4-11H2,1-3H3,(H,21,26,27)