ethyl 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylamino]benzoate Openeye Name: ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoate CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoate Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoic acid ethyl ester Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=CN=C(N=C2N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=CN=C(N=C2N)N

InChI

InChI=1S/C14H17N5O2/c1-2-21-13(20)9-3-5-11(6-4-9)17-7-10-8-18-14(16)19-12(10)15/h3-6,8,17H,2,7H2,1H3,(H4,15,16,18,19)