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

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-(p-anisylamino)-7-(3-phenylpropyl)xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c1-27-20-19(21(29)26-23(27)30)28(14-6-9-16-7-4-3-5-8-16)22(25-20)24-15-17-10-12-18(31-2)13-11-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,24,25)(H,26,29,30)