7-(phenylmethyl)-1-(2-propoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(phenylmethyl)-1-(2-propoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 7-benzyl-1-(2-propoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 7-(phenylmethyl)-1-(2-propoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 7-benzyl-1-(2-propoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 7-benzyl-1-(2-propoxyethyl)-3-propyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCOCCC)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCOCCC)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-3-10-23-18-17(19(25)24(20(23)26)11-13-27-12-4-2)22(15-21-18)14-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3