N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H13N5O4 MolecularWeight: 315.28412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13N5O4/c1-2-5-15-13-12(19(20)21)14(17-7-16-13)18-9-3-4-10-11(6-9)23-8-22-10/h2-4,6-7H,1,5,8H2,(H2,15,16,17,18)