[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C16H20ClN5O4 MolecularWeight: 381.8141

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC(=NC(=N2)N)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC(=NC(=N2)N)N)OCC

InChI

InChI=1S/C16H20ClN5O4/c1-3-5-25-13-10(17)6-9(7-11(13)24-4-2)14(23)26-8-12-20-15(18)22-16(19)21-12/h6-7H,3-5,8H2,1-2H3,(H4,18,19,20,21,22)