8-[2-[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-[2-[(E)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-[2-[(E)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-4,5-dihydropurine-2,6-dione CAS Name: 8-[[(E)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-[2-[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-[N'-[(E)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-4,5-dihydropurine-2,6-quinone Formula: C22H22BrClN6O5 MolecularWeight: 565.80428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2C(C(=O)NC1=O)N(C(=N2)NN/C=C/3\C=C(C=CC3=O)Br)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H22BrClN6O5/c1-29-19-18(20(33)27-22(29)34)30(10-15(31)11-35-16-5-3-14(24)4-6-16)21(26-19)28-25-9-12-8-13(23)2-7-17(12)32/h2-9,15,18-19,25,31H,10-11H2,1H3,(H,26,28)(H,27,33,34)/b12-9+