6-[6-[4-(7-methoxy-2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyrimidin-4-yl]sulfanyl-4-methyl-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[6-[4-(7-methoxy-2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyrimidin-4-yl]sulfanyl-4-methyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-[6-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]pyrimidin-4-yl]sulfanyl-4-methyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[[6-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-4-pyrimidinyl]thio]-4-methyl-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[6-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyrimidin-4-yl]sulfanyl-4-methyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-[[6-[4-(2-keto-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]pyrimidin-4-yl]thio]-4-methyl-3H-1,3-benzoxazol-2-one Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=O)O2)SC3=NC=NC(=C3)N4CCC(CC4)N5CCC6=C(C=CC(=C6)OC)NC5=O

Isomeric SMILES

CC1=CC(=CC2=C1NC(=O)O2)SC3=NC=NC(=C3)N4CCC(CC4)N5CCC6=C(C=CC(=C6)OC)NC5=O

InChI

InChI=1S/C27H28N6O4S/c1-16-11-20(13-22-25(16)31-27(35)37-22)38-24-14-23(28-15-29-24)32-8-6-18(7-9-32)33-10-5-17-12-19(36-2)3-4-21(17)30-26(33)34/h3-4,11-15,18H,5-10H2,1-2H3,(H,30,34)(H,31,35)