(8Z)-9-butyl-1-methyl-8-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)purine-2,6-dione

Systemtic Name: (8Z)-9-butyl-1-methyl-8-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)purine-2,6-dione Openeye Name: (8Z)-9-butyl-1-methyl-8-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)purine-2,6-dione CAS Name: (8Z)-9-butyl-1-methyl-8-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)purine-2,6-dione IUPAC Name: (8Z)-9-butyl-1-methyl-8-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)purine-2,6-dione Traditional Name: (8Z)-9-butyl-1-methyl-8-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)xanthine Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2NC3=C(S2)CCCC3)N=C4C1=NC(=O)N(C4=O)C

Isomeric SMILES

CCCCN1/C(=C\2/NC3=C(S2)CCCC3)/N=C4C1=NC(=O)N(C4=O)C

InChI

InChI=1S/C17H21N5O2S/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/h18H,3-9H2,1-2H3/b15-14-