N4-(4-ethoxyphenyl)-6-methyl-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(4-ethoxyphenyl)-6-methyl-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(4-ethoxyphenyl)-6-methyl-5-nitro-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-6-methyl-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-methyl-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NCC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NCC=C

InChI

InChI=1S/C16H19N5O3/c1-4-10-17-16-18-11(3)14(21(22)23)15(20-16)19-12-6-8-13(9-7-12)24-5-2/h4,6-9H,1,5,10H2,2-3H3,(H2,17,18,19,20)