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

Systemtic Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-chlorophenyl)methyl]-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN5O2/c1-2-7-16-13-12(20(21)22)14(19-9-18-13)17-8-10-3-5-11(15)6-4-10/h2-6,9H,1,7-8H2,(H2,16,17,18,19)