1,3,7-trimethyl-8-[(2E)-2-(1-naphthalen-1-yloxypropan-2-ylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(2E)-2-(1-naphthalen-1-yloxypropan-2-ylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(2E)-2-[1-methyl-2-(1-naphthyloxy)ethylidene]hydrazino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(2E)-2-[1-(1-naphthalenyloxy)propan-2-ylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(2E)-2-(1-naphthalen-1-yloxypropan-2-ylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(N'E)-N'-[1-methyl-2-(1-naphthoxy)ethylidene]hydrazino]xanthine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)/COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N6O3/c1-13(12-30-16-11-7-9-14-8-5-6-10-15(14)16)23-24-20-22-18-17(25(20)2)19(28)27(4)21(29)26(18)3/h5-11H,12H2,1-4H3,(H,22,24)/b23-13+