N-(3,4-dichlorophenyl)-4-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)pyrimidin-2-amine

Systemtic Name: N-(3,4-dichlorophenyl)-4-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)pyrimidin-2-amine Openeye Name: N-(3,4-dichlorophenyl)-4-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)pyrimidin-2-amine CAS Name: N-(3,4-dichlorophenyl)-4-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-pyrimidinamine IUPAC Name: N-(3,4-dichlorophenyl)-4-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)pyrimidin-2-amine Traditional Name: (3,4-dichlorophenyl)-[4-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)pyrimidin-2-yl]amine Formula: C19H16Cl2N4S MolecularWeight: 403.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2CN1C3=NC(=NC=C3)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CSC2=CC=CC=C2CN1C3=NC(=NC=C3)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H16Cl2N4S/c20-15-6-5-14(11-16(15)21)23-19-22-8-7-18(24-19)25-9-10-26-17-4-2-1-3-13(17)12-25/h1-8,11H,9-10,12H2,(H,22,23,24)