N-butyl-8-chloranyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine

Systemtic Name: N-butyl-8-chloranyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-butyl-8-chloro-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-butyl-8-chloro-6-phenyl-4-pyrimido[4,5-b][1,4]benzothiazepinamine IUPAC Name: N-butyl-8-chloro-6-phenylpyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: butyl-(8-chloro-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=NC=N1)SC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CCCCNC1=C2C(=NC=N1)SC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4S/c1-2-3-11-23-20-19-21(25-13-24-20)27-17-10-9-15(22)12-16(17)18(26-19)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3,(H,23,24,25)