3-methyl-8-(3-oxidanylpropylamino)-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-oxidanylpropylamino)-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCCCO)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCCCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c1-26-20-19(21(30)28(23(26)31)16-18-11-6-3-7-12-18)27(15-17-9-4-2-5-10-17)22(25-20)24-13-8-14-29/h2-7,9-12,29H,8,13-16H2,1H3,(H,24,25)