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

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(p-anisylamino)xanthine Formula: C21H21N5O3 MolecularWeight: 391.42314

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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)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-25-18-17(19(27)24-21(25)28)26(13-15-6-4-3-5-7-15)20(23-18)22-12-14-8-10-16(29-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27,28)