1-methyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-methyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C19H21N5O2S/c1-13-7-10-24(15-5-3-4-6-16(15)27-13)17(25)8-9-23-12-20-18-14(19(23)26)11-21-22(18)2/h3-6,11-13H,7-10H2,1-2H3