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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N5O2/c1-16(2)14-30-23(29)18-9-11-19(12-10-18)27-21-20(24)22(26-15-25-21)28(3)13-17-7-5-4-6-8-17/h4-12,15-16H,13-14,24H2,1-3H3,(H,25,26,27)