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

Systemtic Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-(cyclopropylmethyl)-1-methyl-purine-2,6-dione Openeye Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-(cyclopropylmethyl)-1-methyl-purine-2,6-dione CAS Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-(cyclopropylmethyl)-1-methylpurine-2,6-dione IUPAC Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-(cyclopropylmethyl)-1-methylpurine-2,6-dione Traditional Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-(cyclopropylmethyl)-1-methyl-xanthine Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=C3NC4=CC=CC=C4S3)N(C2=NC1=O)CC5CC5

Isomeric SMILES

CN1C(=O)C2=N/C(=C/3\NC4=CC=CC=C4S3)/N(C2=NC1=O)CC5CC5

InChI

InChI=1S/C17H15N5O2S/c1-21-16(23)12-13(20-17(21)24)22(8-9-6-7-9)14(19-12)15-18-10-4-2-3-5-11(10)25-15/h2-5,9,18H,6-8H2,1H3/b15-14-