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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-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-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C15H18ClN5O4 MolecularWeight: 367.78752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN5O4/c1-3-4-24-12-9(16)5-8(6-10(12)23-2)13(22)25-7-11-19-14(17)21-15(18)20-11/h5-6H,3-4,7H2,1-2H3,(H4,17,18,19,20,21)