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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N4-allyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-4-8-18-16-15(22(23)24)17(21-11-20-16)19-9-7-12-5-6-13(25-2)14(10-12)26-3/h4-6,10-11H,1,7-9H2,2-3H3,(H2,18,19,20,21)