N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methoxyphenyl)methyl]-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3/c1-3-8-16-14-13(20(21)22)15(19-10-18-14)17-9-11-4-6-12(23-2)7-5-11/h3-7,10H,1,8-9H2,2H3,(H2,16,17,18,19)