N2,N4-bis(1,3-benzodioxol-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2,N4-bis(1,3-benzodioxol-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2,N4-bis(1,3-benzodioxol-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2,N4-bis(1,3-benzodioxol-5-yl)-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N,4-N-bis(1,3-benzodioxol-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylamino)-6-pyrrolidino-s-triazin-2-yl]amine Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)OCO4)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)NC3=CC4=C(C=C3)OCO4)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H20N6O4/c1-2-8-27(7-1)21-25-19(22-13-3-5-15-17(9-13)30-11-28-15)24-20(26-21)23-14-4-6-16-18(10-14)31-12-29-16/h3-6,9-10H,1-2,7-8,11-12H2,(H2,22,23,24,25,26)