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

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

Systemtic Name:N4-(4-butylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine
Openeye Name:N6-benzyl-N4-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine
CAS Name:N4-(4-butylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine
IUPAC Name:6-N-benzyl-4-N-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine
Traditional Name:benzyl-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amine
Formula: C21H23N5O2
MolecularWeight: 377.43962
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C21H23N5O2/c1-2-3-7-16-10-12-18(13-11-16)25-21-19(26(27)28)20(23-15-24-21)22-14-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H2,22,23,24,25)


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