butyl 4-[[2-[(4-butoxycarbonylphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(4-butoxycarbonylphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 4-[[2-(4-butoxycarbonylanilino)-6-methyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-[4-[butoxy(oxo)methyl]anilino]-6-methyl-4-pyrimidinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-butoxycarbonylanilino)-6-methylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-butoxycarbonylanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid butyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NC3=CC=C(C=C3)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NC3=CC=C(C=C3)C(=O)OCCCC

InChI

InChI=1S/C27H32N4O4/c1-4-6-16-34-25(32)20-8-12-22(13-9-20)29-24-18-19(3)28-27(31-24)30-23-14-10-21(11-15-23)26(33)35-17-7-5-2/h8-15,18H,4-7,16-17H2,1-3H3,(H2,28,29,30,31)