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

Systemtic Name: dimethyl 5-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(tert-butylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H23N5O4/c1-18(2,3)23-15-13(19)14(20-9-21-15)22-12-7-10(16(24)26-4)6-11(8-12)17(25)27-5/h6-9H,19H2,1-5H3,(H2,20,21,22,23)