3,7-dimethyl-1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-3,7-dimethyl-xanthine Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C19H21N5O3S/c1-12-8-9-23(13-6-4-5-7-14(13)28-12)15(25)10-24-18(26)16-17(20-11-21(16)2)22(3)19(24)27/h4-7,11-12H,8-10H2,1-3H3