3-methyl-7-(3-methylbutyl)-8-(phenylazanylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(phenylazanylmethyl)purine-2,6-dione Openeye Name: 8-(anilinomethyl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(anilinomethyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(anilinomethyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(anilinomethyl)-7-isoamyl-3-methyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)CNC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)CNC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-12(2)9-10-23-14(11-19-13-7-5-4-6-8-13)20-16-15(23)17(24)21-18(25)22(16)3/h4-8,12,19H,9-11H2,1-3H3,(H,21,24,25)