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

Systemtic Name: N6-(4-butylphenyl)-N4-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-3-4-6-15-9-11-16(12-10-15)24-20-19(26(27)28)21(23-14-22-20)25-17-7-5-8-18(13-17)29-2/h5,7-14H,3-4,6H2,1-2H3,(H2,22,23,24,25)