methyl 2-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N

InChI

InChI=1S/C23H27N5O2/c1-4-5-8-16-11-13-17(14-12-16)27-21-20(24)22(26-15-25-21)28(2)19-10-7-6-9-18(19)23(29)30-3/h6-7,9-15H,4-5,8,24H2,1-3H3,(H,25,26,27)