N6-(2-methoxyethyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methoxyethyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methoxyethyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C(=NC=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-29-13-12-22-20-19(26(27)28)21(24-16-23-20)25(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,22,23,24)