N4-(4-butylphenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butylphenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-2-3-5-15-7-9-17(10-8-15)25-20-18(26(27)28)19(23-14-24-20)22-13-16-6-4-11-21-12-16/h4,6-12,14H,2-3,5,13H2,1H3,(H2,22,23,24,25)