N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-acetamide Formula: C28H29N7O3S MolecularWeight: 543.63996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H29N7O3S/c1-18(36)29-13-14-30-23-17-24(33-25(32-23)19-7-3-2-4-8-19)34-26(37)28(38)35-15-11-20(12-16-35)27-31-21-9-5-6-10-22(21)39-27/h2-10,17,20H,11-16H2,1H3,(H,29,36)(H2,30,32,33,34,37)