8-[(E)-(4-ethoxyphenyl)methylideneamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[(E)-(4-ethoxyphenyl)methylideneamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(E)-(4-ethoxyphenyl)methyleneamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(E)-(4-ethoxyphenyl)methylideneamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(E)-(4-ethoxyphenyl)methylideneamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(E)-(4-ethoxybenzylidene)amino]-1,3-dimethyl-xanthine Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N/C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H23N5O3/c1-4-31-18-12-10-16(11-13-18)14-24-22-25-20-19(21(29)27(3)23(30)26(20)2)28(22)15-17-8-6-5-7-9-17/h5-14H,4,15H2,1-3H3/b24-14+