N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-amine

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-amine Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-isopropyl-3,4-dihydro-2H-1,5-benzothiazepin-5-amine CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-propan-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-amine IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yl-3,4-dihydro-2H-1,5-benzothiazepin-5-amine Traditional Name: (4,6-dimethylpyrimidin-2-yl)-(4-isopropyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)amine Formula: C18H24N4S MolecularWeight: 328.47496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(CCSC3=CC=CC=C32)C(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(CCSC3=CC=CC=C32)C(C)C)C

InChI

InChI=1S/C18H24N4S/c1-12(2)15-9-10-23-17-8-6-5-7-16(17)22(15)21-18-19-13(3)11-14(4)20-18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,20,21)