3-butyl-7-methyl-8-(2-propan-2-yloxyphenyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-(2-propan-2-yloxyphenyl)purine-2,6-dione Openeye Name: 3-butyl-8-(2-isopropoxyphenyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-(2-propan-2-yloxyphenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-(2-propan-2-yloxyphenyl)purine-2,6-dione Traditional Name: 3-butyl-8-(2-isopropoxyphenyl)-7-methyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3OC(C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3OC(C)C)C

InChI

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