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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C17H22ClN5O4 MolecularWeight: 395.84068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5O4/c1-5-6-26-14-11(18)7-10(8-12(14)25-4)15(24)27-9-13-20-16(19)22-17(21-13)23(2)3/h7-8H,5-6,9H2,1-4H3,(H2,19,20,21,22)