2-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]sulfanyl]isoindole-1,3-dione

Systemtic Name: 2-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]sulfanyl]isoindole-1,3-dione Openeye Name: 2-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]sulfanyl]isoindoline-1,3-dione CAS Name: 2-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]thio]isoindole-1,3-dione IUPAC Name: 2-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]sulfanyl]isoindole-1,3-dione Traditional Name: 2-[[4,6-bis(propylamino)-s-triazin-2-yl]thio]isoindoline-1,3-quinone Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=N1)SN2C(=O)C3=CC=CC=C3C2=O)NCCC

Isomeric SMILES

CCCNC1=NC(=NC(=N1)SN2C(=O)C3=CC=CC=C3C2=O)NCCC

InChI

InChI=1S/C17H20N6O2S/c1-3-9-18-15-20-16(19-10-4-2)22-17(21-15)26-23-13(24)11-7-5-6-8-12(11)14(23)25/h5-8H,3-4,9-10H2,1-2H3,(H2,18,19,20,21,22)