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

Systemtic Name: N-butyl-8-methyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-butyl-8-methyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-butyl-8-methyl-6-phenyl-4-pyrimido[4,5-b][1,4]benzothiazepinamine IUPAC Name: N-butyl-8-methyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: butyl-(8-methyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4S/c1-3-4-12-23-21-20-22(25-14-24-21)27-18-11-10-15(2)13-17(18)19(26-20)16-8-6-5-7-9-16/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24,25)