8-[2-[(E)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-hexadecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-[(E)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(E)-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(E)-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(E)-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(E)-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-cetyl-3-methyl-xanthine Formula: C30H45BrN6O4 MolecularWeight: 633.6201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1NN/C=C/3\C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C30H45BrN6O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-25-27(36(2)30(40)34-28(25)39)33-29(37)35-32-21-22-19-23(31)26(38)24(20-22)41-3/h19-21,32H,4-18H2,1-3H3,(H,33,35)(H,34,39,40)/b22-21-