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

Systemtic Name: N6-(4-butylphenyl)-N4-cycloheptyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-cycloheptyl-pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-cycloheptylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-cycloheptyl-amine Formula: C21H31N5 MolecularWeight: 353.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)N

InChI

InChI=1S/C21H31N5/c1-2-3-8-16-11-13-18(14-12-16)26-21-19(22)20(23-15-24-21)25-17-9-6-4-5-7-10-17/h11-15,17H,2-10,22H2,1H3,(H2,23,24,25,26)