7-butyl-8-(4-methoxyphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-(4-methoxyphenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-(4-methoxyphenyl)-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-(4-methoxyphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-(4-methoxyphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-(4-methoxyphenyl)-3-propyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C19H24N4O3/c1-4-6-12-22-15-17(23(11-5-2)19(25)21-18(15)24)20-16(22)13-7-9-14(26-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,21,24,25)