3-methyl-8-[(2Z)-2-(2-methyl-1-phenyl-propylidene)hydrazinyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2Z)-2-(2-methyl-1-phenyl-propylidene)hydrazinyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2Z)-2-(2-methyl-1-phenyl-propylidene)hydrazino]-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2Z)-2-(2-methyl-1-phenylpropylidene)hydrazinyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2Z)-2-(2-methyl-1-phenylpropylidene)hydrazinyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[(N'Z)-N'-(2-methyl-1-phenyl-propylidene)hydrazino]xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NN=C(C3=CC=CC=C3)C(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N/N=C(\C3=CC=CC=C3)/C(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O2/c1-5-6-10-13-27-17-18(26(4)21(29)23-19(17)28)22-20(27)25-24-16(14(2)3)15-11-8-7-9-12-15/h7-9,11-12,14H,5-6,10,13H2,1-4H3,(H,22,25)(H,23,28,29)/b24-16-