5-nitro-N4,N4-bis(phenylmethyl)-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2/c1-2-13-22-20-19(26(27)28)21(24-16-23-20)25(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16H,2,13-15H2,1H3,(H,22,23,24)