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

Systemtic Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H23N5O4/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/h5-6,10-11H,4,7-9H2,1-3H3,(H2,18,19,20,21)