2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]thio]ethyl ester IUPAC Name: 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-(ethylamino)-6-(isopropylamino)-s-triazin-2-yl]thio]ethyl ester Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)NC(C)C

Isomeric SMILES

CCNC1=NC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)NC(C)C

InChI

InChI=1S/C17H23N5O2S/c1-4-18-15-20-16(19-12(2)3)22-17(21-15)25-11-10-24-14(23)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,18,19,20,21,22)