8-[(4-methoxyphenyl)amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 7-isopentyl-8-(4-methoxyanilino)-3-methyl-purine-2,6-dione CAS Name: 8-(4-methoxyanilino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(4-methoxyanilino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(p-anisidino)xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H23N5O3/c1-11(2)9-10-23-14-15(22(3)18(25)21-16(14)24)20-17(23)19-12-5-7-13(26-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,19,20)(H,21,24,25)