3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[(2E)-2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-[(N'E)-N'-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]xanthine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NN=C(C)C=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N/N=C(\C)/C=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H26N6O2/c1-14(2)12-13-27-17-18(26(4)21(29)23-19(17)28)22-20(27)25-24-15(3)10-11-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,28,29)/b11-10+,24-15+