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

Systemtic Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-propyl-purine-2,6-dione Openeye Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-propyl-purine-2,6-dione CAS Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-propylpurine-2,6-dione IUPAC Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-propylpurine-2,6-dione Traditional Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-propyl-xanthine Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2NC3=CC=CC=C3S2)N=C4C1=NC(=O)N(C4=O)C

Isomeric SMILES

CCCN1/C(=C\2/NC3=CC=CC=C3S2)/N=C4C1=NC(=O)N(C4=O)C

InChI

InChI=1S/C16H15N5O2S/c1-3-8-21-12-11(15(22)20(2)16(23)19-12)18-13(21)14-17-9-6-4-5-7-10(9)24-14/h4-7,17H,3,8H2,1-2H3/b14-13-