2-morpholin-4-yl-8-phenyl-5-phenylazanyl-9H-pyrimido[4,5-e][1,4]thiazepin-4-one

Systemtic Name: 2-morpholin-4-yl-8-phenyl-5-phenylazanyl-9H-pyrimido[4,5-e][1,4]thiazepin-4-one Openeye Name: 5-anilino-2-morpholino-8-phenyl-9H-pyrimido[4,5-e][1,4]thiazepin-4-one CAS Name: 5-anilino-2-(4-morpholinyl)-8-phenyl-9H-pyrimido[4,5-e][1,4]thiazepin-4-one IUPAC Name: 5-anilino-2-morpholin-4-yl-8-phenyl-9H-pyrimido[4,5-e][1,4]thiazepin-4-one Traditional Name: 5-anilino-2-morpholino-8-phenyl-9H-pyrimido[4,5-e][1,4]thiazepin-4-one Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=O)C3=C(SC=C(NC3=N2)C4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC(=O)C3=C(SC=C(NC3=N2)C4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C23H21N5O2S/c29-21-19-20(26-23(27-21)28-11-13-30-14-12-28)25-18(16-7-3-1-4-8-16)15-31-22(19)24-17-9-5-2-6-10-17/h1-10,15,24H,11-14H2,(H,25,26,27,29)