N4,N6-bis(4-butylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4,N6-bis(4-butylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4,N6-bis(4-butylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4,N6-bis(4-butylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N,6-N-bis(4-butylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C24H31N5 MolecularWeight: 389.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)CCCC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)CCCC)N

InChI

InChI=1S/C24H31N5/c1-3-5-7-18-9-13-20(14-10-18)28-23-22(25)24(27-17-26-23)29-21-15-11-19(12-16-21)8-6-4-2/h9-17H,3-8,25H2,1-2H3,(H2,26,27,28,29)