1-(2-hydroxyethyloxymethyl)-5-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione Openeye Name: 1-(2-hydroxyethoxymethyl)-5-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-5-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione Traditional Name: 1-(2-hydroxyethoxymethyl)-5-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-quinone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=C(N(C(=O)NC3=O)COCCO)SC4=CC=CC=C4N2

Isomeric SMILES

C1=CC=C(C=C1)C2C3=C(N(C(=O)NC3=O)COCCO)SC4=CC=CC=C4N2

InChI

InChI=1S/C20H19N3O4S/c24-10-11-27-12-23-19-16(18(25)22-20(23)26)17(13-6-2-1-3-7-13)21-14-8-4-5-9-15(14)28-19/h1-9,17,21,24H,10-12H2,(H,22,25,26)