(8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-butyl-1-methyl-purine-2,6-dione

Systemtic Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-butyl-1-methyl-purine-2,6-dione Openeye Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-butyl-1-methyl-purine-2,6-dione CAS Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-butyl-1-methylpurine-2,6-dione IUPAC Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-butyl-1-methylpurine-2,6-dione Traditional Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-butyl-1-methyl-xanthine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2NC3=CC=CC=C3S2)N=C4C1=NC(=O)N(C4=O)C

Isomeric SMILES

CCCCN1/C(=C\2/NC3=CC=CC=C3S2)/N=C4C1=NC(=O)N(C4=O)C

InChI

InChI=1S/C17H17N5O2S/c1-3-4-9-22-13-12(16(23)21(2)17(24)20-13)19-14(22)15-18-10-7-5-6-8-11(10)25-15/h5-8,18H,3-4,9H2,1-2H3/b15-14-