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

Systemtic Name: 8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-isopropyl-3-methyl-xanthine Formula: C17H19BrN6O4 MolecularWeight: 451.27456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19BrN6O4/c1-8(2)24-12-14(23(3)17(27)21-15(12)26)20-16(24)22-19-7-9-5-10(18)13(25)11(6-9)28-4/h5-8,19H,1-4H3,(H,20,22)(H,21,26,27)