(8Z)-1-methyl-9-(3-methylbutyl)-8-(4-methyl-3H-1,3-thiazol-2-ylidene)purine-2,6-dione

Systemtic Name: (8Z)-1-methyl-9-(3-methylbutyl)-8-(4-methyl-3H-1,3-thiazol-2-ylidene)purine-2,6-dione Openeye Name: (8Z)-9-isopentyl-1-methyl-8-(4-methyl-3H-thiazol-2-ylidene)purine-2,6-dione CAS Name: (8Z)-1-methyl-9-(3-methylbutyl)-8-(4-methyl-3H-thiazol-2-ylidene)purine-2,6-dione IUPAC Name: (8Z)-1-methyl-9-(3-methylbutyl)-8-(4-methyl-3H-1,3-thiazol-2-ylidene)purine-2,6-dione Traditional Name: (8Z)-9-isoamyl-1-methyl-8-(4-methyl-4-thiazolin-2-ylidene)xanthine Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C2N=C3C(=NC(=O)N(C3=O)C)N2CCC(C)C)N1

Isomeric SMILES

CC1=CS/C(=C\2/N=C3C(=NC(=O)N(C3=O)C)N2CCC(C)C)/N1

InChI

InChI=1S/C15H19N5O2S/c1-8(2)5-6-20-11-10(14(21)19(4)15(22)18-11)17-12(20)13-16-9(3)7-23-13/h7-8,16H,5-6H2,1-4H3/b13-12-