N-butyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine

Systemtic Name: N-butyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-butyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-butyl-6-phenyl-4-pyrimido[4,5-b][1,4]benzothiazepinamine IUPAC Name: N-butyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: butyl-(6-phenylpyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=NC=N1)SC3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

CCCCNC1=C2C(=NC=N1)SC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4S/c1-2-3-13-22-20-19-21(24-14-23-20)26-17-12-8-7-11-16(17)18(25-19)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3,(H,22,23,24)