7-butyl-3-methyl-8-[2-[(1Z)-1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-[2-[(1Z)-1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[2-[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[[(1Z)-1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]hydrazo]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-[2-[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-butyl-8-[N'-[(1Z)-1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]-3-methyl-xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NNC(=C3C=CC=CC3=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NN/C(=C\3/C=CC=CC3=O)/C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O3/c1-4-5-10-24-14-15(23(3)18(27)20-16(14)26)19-17(24)22-21-11(2)12-8-6-7-9-13(12)25/h6-9,21H,4-5,10H2,1-3H3,(H,19,22)(H,20,26,27)/b12-11-