N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3)OC

InChI

InChI=1S/C19H21N5O5/c1-27-15-6-5-13(10-16(15)28-2)7-8-20-18-17(24(25)26)19(23-12-22-18)21-11-14-4-3-9-29-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H2,20,21,22,23)