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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C3=NC(=NC=C3)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C3=NC(=NC=C3)NC4=CC(=C(C=C4)Cl)Cl

InChI

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