methyl 3-azanyl-5-[[2-[(3-azanyl-5-methoxycarbonyl-phenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 3-azanyl-5-[[2-[(3-azanyl-5-methoxycarbonyl-phenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 3-amino-5-[[2-(3-amino-5-methoxycarbonyl-anilino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-amino-5-[[2-(3-amino-5-methoxycarbonylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-5-[[2-(3-amino-5-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-amino-5-[[2-(3-amino-5-carbomethoxy-anilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC(=CC(=C3)N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC(=CC(=C3)N)C(=O)OC)N

InChI

InChI=1S/C20H20N6O4/c1-29-18(27)11-5-13(21)9-15(7-11)24-17-3-4-23-20(26-17)25-16-8-12(19(28)30-2)6-14(22)10-16/h3-10H,21-22H2,1-2H3,(H2,23,24,25,26)