9-butyl-8-(4-methoxyphenyl)-1-methyl-3H-purine-2,6-dione

Systemtic Name: 9-butyl-8-(4-methoxyphenyl)-1-methyl-3H-purine-2,6-dione Openeye Name: 9-butyl-8-(4-methoxyphenyl)-1-methyl-3H-purine-2,6-dione CAS Name: 9-butyl-8-(4-methoxyphenyl)-1-methyl-3H-purine-2,6-dione IUPAC Name: 9-butyl-8-(4-methoxyphenyl)-1-methyl-3H-purine-2,6-dione Traditional Name: 9-butyl-8-(4-methoxyphenyl)-1-methyl-xanthine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H20N4O3/c1-4-5-10-21-14(11-6-8-12(24-3)9-7-11)18-13-15(21)19-17(23)20(2)16(13)22/h6-9H,4-5,10H2,1-3H3,(H,19,23)