ethyl 3-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-3-28-21(27)16-10-7-11-17(12-16)25-19-18(22)20(24-14-23-19)26(2)13-15-8-5-4-6-9-15/h4-12,14H,3,13,22H2,1-2H3,(H,23,24,25)