7-butyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O3/c1-4-5-10-24-14-15(23(2)18(26)21-16(14)25)20-17(24)22-19-11-12-6-8-13(27-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)(H,21,25,26)/b19-11+