3-butyl-1-(3-methoxypropyl)-7-(phenylmethyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCOC)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCOC)N(C=N2)CC3=CC=CC=C3

InChI

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