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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H23N5O4/c1-11(2)21-17-15(22(23)24)16(19-10-20-17)18-8-7-12-5-6-13(25-3)14(9-12)26-4/h5-6,9-11H,7-8H2,1-4H3,(H2,18,19,20,21)