1,3,7-trimethyl-8-[2-[(Z)-1-naphthalen-1-yloxyprop-1-en-2-yl]hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[2-[(Z)-1-naphthalen-1-yloxyprop-1-en-2-yl]hydrazinyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-[(Z)-1-methyl-2-(1-naphthyloxy)vinyl]hydrazino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[(Z)-1-(1-naphthalenyloxy)prop-1-en-2-yl]hydrazo]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-[(Z)-1-naphthalen-1-yloxyprop-1-en-2-yl]hydrazinyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[N'-[(Z)-1-methyl-2-(1-naphthoxy)vinyl]hydrazino]xanthine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC1=CC=CC2=CC=CC=C21)NNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

C/C(=C/OC1=CC=CC2=CC=CC=C21)/NNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

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/h5-12,23H,1-4H3,(H,22,24)/b13-12-