ethyl 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-benzoate

Systemtic Name: ethyl 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-benzoate Openeye Name: ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-benzoate CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-benzoic acid ethyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC

InChI

InChI=1S/C16H20N4O4/c1-4-24-15(21)13-11(22-2)6-9(7-12(13)23-3)5-10-8-19-16(18)20-14(10)17/h6-8H,4-5H2,1-3H3,(H4,17,18,19,20)