dimethyl 5-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H23N5O4/c1-27(12-14-7-5-4-6-8-14)20-18(23)19(24-13-25-20)26-17-10-15(21(28)30-2)9-16(11-17)22(29)31-3/h4-11,13H,12,23H2,1-3H3,(H,24,25,26)