methyl 3-[[5-phenyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]amino]propanoate

Systemtic Name: methyl 3-[[5-phenyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]amino]propanoate Openeye Name: methyl 3-[(3-benzyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-yl)amino]propanoate CAS Name: 3-[[5-phenyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]propanoate Traditional Name: 3-[(3-benzyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-yl)amino]propionic acid methyl ester Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=NC(=NC2=C1N=NN2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCNC1=NC(=NC2=C1N=NN2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c1-29-17(28)12-13-22-20-18-21(24-19(23-20)16-10-6-3-7-11-16)27(26-25-18)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,22,23,24)