1-(butoxymethyl)-7-(phenylmethyl)-3-propan-2-yl-purine-2,6-dione

Systemtic Name: 1-(butoxymethyl)-7-(phenylmethyl)-3-propan-2-yl-purine-2,6-dione Openeye Name: 7-benzyl-1-(butoxymethyl)-3-isopropyl-purine-2,6-dione CAS Name: 1-(butoxymethyl)-7-(phenylmethyl)-3-propan-2-ylpurine-2,6-dione IUPAC Name: 7-benzyl-1-(butoxymethyl)-3-propan-2-ylpurine-2,6-dione Traditional Name: 7-benzyl-1-(butoxymethyl)-3-isopropyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C(C)C

Isomeric SMILES

CCCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C(C)C

InChI

InChI=1S/C20H26N4O3/c1-4-5-11-27-14-23-19(25)17-18(24(15(2)3)20(23)26)21-13-22(17)12-16-9-7-6-8-10-16/h6-10,13,15H,4-5,11-12,14H2,1-3H3