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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[(2Z)-2-(1-phenylbutylidene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-isoamyl-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:

CCCC(=NNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C)C3=CC=CC=C3

Isomeric SMILES

CCC/C(=N/NC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C)/C3=CC=CC=C3

InChI

InChI=1S/C21H28N6O2/c1-5-9-16(15-10-7-6-8-11-15)24-25-20-22-18-17(27(20)13-12-14(2)3)19(28)23-21(29)26(18)4/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,22,25)(H,23,28,29)/b24-16-