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

Systemtic Name: 7-butyl-3-methyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-butyl-8-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O3/c1-3-4-9-23-13-14(22(2)17(26)20-15(13)25)19-16(23)21-18-10-11-7-5-6-8-12(11)24/h5-8,10,18H,3-4,9H2,1-2H3,(H,19,21)(H,20,25,26)