1-methyl-9-(3-methylbutyl)-8-(5-methylthiophen-2-yl)-3H-purine-2,6-dione

Systemtic Name: 1-methyl-9-(3-methylbutyl)-8-(5-methylthiophen-2-yl)-3H-purine-2,6-dione Openeye Name: 9-isopentyl-1-methyl-8-(5-methyl-2-thienyl)-3H-purine-2,6-dione CAS Name: 1-methyl-9-(3-methylbutyl)-8-(5-methyl-2-thiophenyl)-3H-purine-2,6-dione IUPAC Name: 1-methyl-9-(3-methylbutyl)-8-(5-methylthiophen-2-yl)-3H-purine-2,6-dione Traditional Name: 9-isoamyl-1-methyl-8-(5-methyl-2-thienyl)xanthine Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=C(N2CCC(C)C)NC(=O)N(C3=O)C

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=C(N2CCC(C)C)NC(=O)N(C3=O)C

InChI

InChI=1S/C16H20N4O2S/c1-9(2)7-8-20-13(11-6-5-10(3)23-11)17-12-14(20)18-16(22)19(4)15(12)21/h5-6,9H,7-8H2,1-4H3,(H,18,22)