7-(ethoxymethyl)-3-methyl-1-(5-oxidanylhexyl)-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-3-methyl-1-(5-oxidanylhexyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CCCCC(C)O)C

Isomeric SMILES

CCOCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CCCCC(C)O)C

InChI

InChI=1S/C22H31N5O4/c1-4-31-15-27-18-19(24-21(27)23-14-17-11-6-5-7-12-17)25(3)22(30)26(20(18)29)13-9-8-10-16(2)28/h5-7,11-12,16,28H,4,8-10,13-15H2,1-3H3,(H,23,24)