N4-(1,3-benzodioxol-5-yl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-[2-(1-cyclohexenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N5O4/c25-24(26)17-18(20-9-8-13-4-2-1-3-5-13)21-11-22-19(17)23-14-6-7-15-16(10-14)28-12-27-15/h4,6-7,10-11H,1-3,5,8-9,12H2,(H2,20,21,22,23)