3-methyl-8-[2-(10-oxidanylideneanthracen-9-ylidene)hydrazinyl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-(10-oxidanylideneanthracen-9-ylidene)hydrazinyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[2-(10-oxo-9-anthrylidene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[2-(10-oxo-9-anthracenylidene)hydrazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[2-(10-oxoanthracen-9-ylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-8-[N'-(10-keto-9-anthrylidene)hydrazino]-3-methyl-xanthine Formula: C27H20N6O3 MolecularWeight: 476.4861

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)CC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)CC6=CC=CC=C6

InChI

InChI=1S/C27H20N6O3/c1-32-24-22(25(35)29-27(32)36)33(15-16-9-3-2-4-10-16)26(28-24)31-30-21-17-11-5-7-13-19(17)23(34)20-14-8-6-12-18(20)21/h2-14H,15H2,1H3,(H,28,31)(H,29,35,36)