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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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