6-phenyl-4-pyrrolidin-1-yl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 6-phenyl-4-pyrrolidin-1-yl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-phenyl-4-pyrrolidin-1-yl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 6-phenyl-4-(1-pyrrolidinyl)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-phenyl-4-pyrrolidin-1-ylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-phenyl-4-pyrrolidino-pyrimido[4,5-b][1,4]benzothiazepine Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C3C(=NC=N2)SC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C3C(=NC=N2)SC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4S/c1-2-8-15(9-3-1)18-16-10-4-5-11-17(16)26-21-19(24-18)20(22-14-23-21)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2