1-[6-(1,4-dimethyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[6-(1,4-dimethyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-(1,4-dimethyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-(1,4-dimethyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-(1,4-dimethyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea Traditional Name: 1-ethyl-3-[6-(5-keto-1,4-dimethyl-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]urea Formula: C25H26N8O2 MolecularWeight: 470.52634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CC4=C(C=C3)N(CCN(C4=O)C)C)C5=NC=CC=N5

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CC4=C(C=C3)N(CCN(C4=O)C)C)C5=NC=CC=N5

InChI

InChI=1S/C25H26N8O2/c1-4-26-25(35)31-24-29-19-14-16(13-18(21(19)30-24)22-27-8-5-9-28-22)15-6-7-20-17(12-15)23(34)33(3)11-10-32(20)2/h5-9,12-14H,4,10-11H2,1-3H3,(H3,26,29,30,31,35)