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

Systemtic Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-(phenylmethyl)purine-2,6-dione Openeye Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-benzyl-1-methyl-purine-2,6-dione CAS Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-(phenylmethyl)purine-2,6-dione IUPAC Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-benzyl-1-methylpurine-2,6-dione Traditional Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-benzyl-1-methyl-xanthine Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=C3NC4=CC=CC=C4S3)N(C2=NC1=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=N/C(=C/3\NC4=CC=CC=C4S3)/N(C2=NC1=O)CC5=CC=CC=C5

InChI

InChI=1S/C20H15N5O2S/c1-24-19(26)15-16(23-20(24)27)25(11-12-7-3-2-4-8-12)17(22-15)18-21-13-9-5-6-10-14(13)28-18/h2-10,21H,11H2,1H3/b18-17-