N2-(1,3-benzodioxol-5-yl)-6-chloranyl-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(1,3-benzodioxol-5-yl)-6-chloranyl-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine Openeye Name: N4-allyl-N2-(1,3-benzodioxol-5-yl)-6-chloro-1,3,5-triazine-2,4-diamine CAS Name: N2-(1,3-benzodioxol-5-yl)-6-chloro-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(1,3-benzodioxol-5-yl)-6-chloro-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine Traditional Name: allyl-[4-(1,3-benzodioxol-5-ylamino)-6-chloro-s-triazin-2-yl]amine Formula: C13H12ClN5O2 MolecularWeight: 305.71968

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

C=CCNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C13H12ClN5O2/c1-2-5-15-12-17-11(14)18-13(19-12)16-8-3-4-9-10(6-8)21-7-20-9/h2-4,6H,1,5,7H2,(H2,15,16,17,18,19)