3-butyl-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-7-ethyl-xanthine Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC4=C(C3)C=CS4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC4=C(C3)C=CS4)CC

InChI

InChI=1S/C19H25N5O2S/c1-3-5-8-24-17-16(18(25)21-19(24)26)23(4-2)15(20-17)12-22-9-6-14-13(11-22)7-10-27-14/h7,10H,3-6,8-9,11-12H2,1-2H3,(H,21,25,26)