2-[2-[2-[5-azanyl-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]-3-phenyl-propanoyl]-N,N-diethyl-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-[2-[2-[5-azanyl-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]-3-phenyl-propanoyl]-N,N-diethyl-1,3-benzoxazole-5-carboxamide Openeye Name: 2-[2-[[2-[5-amino-2-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-N,N-diethyl-1,3-benzoxazole-5-carboxamide CAS Name: 2-[2-[[2-[5-amino-2-(4-fluorophenyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-N,N-diethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-[2-[[2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]-3-phenylpropanoyl]-N,N-diethyl-1,3-benzoxazole-5-carboxamide Traditional Name: 2-[2-[[2-[5-amino-2-(4-fluorophenyl)-6-keto-pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-N,N-diethyl-1,3-benzoxazole-5-carboxamide Formula: C33H31FN6O5 MolecularWeight: 610.634843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)OC(=N2)C(=O)C(CC3=CC=CC=C3)NC(=O)CN4C(=NC=C(C4=O)N)C5=CC=C(C=C5)F

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)OC(=N2)C(=O)C(CC3=CC=CC=C3)NC(=O)CN4C(=NC=C(C4=O)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H31FN6O5/c1-3-39(4-2)32(43)22-12-15-27-25(17-22)38-31(45-27)29(42)26(16-20-8-6-5-7-9-20)37-28(41)19-40-30(36-18-24(35)33(40)44)21-10-13-23(34)14-11-21/h5-15,17-18,26H,3-4,16,19,35H2,1-2H3,(H,37,41)