3-(cyclopropylmethyl)-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione

Systemtic Name: 3-(cyclopropylmethyl)-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-(cyclopropylmethyl)-1-(propoxymethyl)purine-2,6-dione CAS Name: 3-(cyclopropylmethyl)-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(cyclopropylmethyl)-1-(propoxymethyl)purine-2,6-dione Traditional Name: 7-benzyl-3-(cyclopropylmethyl)-1-(propoxymethyl)xanthine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4CC4

Isomeric SMILES

CCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4CC4

InChI

InChI=1S/C20H24N4O3/c1-2-10-27-14-24-19(25)17-18(23(20(24)26)12-16-8-9-16)21-13-22(17)11-15-6-4-3-5-7-15/h3-7,13,16H,2,8-12,14H2,1H3