ditert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate

Systemtic Name: ditert-butyl 2-[4-(dimethylamino)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate Openeye Name: ditert-butyl 2-[4-(dimethylamino)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate CAS Name: 2-[4-(dimethylamino)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-(dimethylamino)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate Traditional Name: 2-[4-(dimethylamino)-6-(N-phenylanilino)-s-triazin-2-yl]malonic acid ditert-butyl ester Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C)C)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C)C)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35N5O4/c1-27(2,3)36-23(34)21(24(35)37-28(4,5)6)22-29-25(32(7)8)31-26(30-22)33(19-15-11-9-12-16-19)20-17-13-10-14-18-20/h9-18,21H,1-8H3