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

Systemtic Name: 7-hexadecyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-purine-2,6-dione Openeye Name: 7-hexadecyl-8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-hexadecyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-hexadecyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C30H46N6O3 MolecularWeight: 538.72464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C30H46N6O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-36-26-27(35(2)30(38)33-28(26)37)32-29(36)34-31-23-24-18-20-25(39-3)21-19-24/h18-21,23H,4-17,22H2,1-3H3,(H,32,34)(H,33,37,38)/b31-23+