methyl 2-[2-[2-(5-azanyl-6-oxidanylidene-2-pyridin-4-yl-pyrimidin-1-yl)ethanoylamino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 2-[2-[2-(5-azanyl-6-oxidanylidene-2-pyridin-4-yl-pyrimidin-1-yl)ethanoylamino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-[2-[[2-[5-amino-6-oxo-2-(4-pyridyl)pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[2-[[2-(5-amino-6-oxo-2-pyridin-4-yl-1-pyrimidinyl)-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[2-(5-amino-6-oxo-2-pyridin-4-ylpyrimidin-1-yl)acetyl]amino]-3-phenylpropanoyl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[2-[[2-[5-amino-6-keto-2-(4-pyridyl)pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C29H24N6O6 MolecularWeight: 552.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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=NC=C5

Isomeric SMILES

COC(=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=NC=C5

InChI

InChI=1S/C29H24N6O6/c1-40-29(39)19-7-8-23-21(14-19)34-27(41-23)25(37)22(13-17-5-3-2-4-6-17)33-24(36)16-35-26(18-9-11-31-12-10-18)32-15-20(30)28(35)38/h2-12,14-15,22H,13,16,30H2,1H3,(H,33,36)