6-(azepan-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(azepan-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(azepan-1-yl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine CAS Name: 6-(1-azepanyl)-N4-(4-butylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(azepan-1-yl)-4-N-(4-butylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C20H29N5 MolecularWeight: 339.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCCCCC3

InChI

InChI=1S/C20H29N5/c1-2-3-8-16-9-11-17(12-10-16)24-19-18(21)20(23-15-22-19)25-13-6-4-5-7-14-25/h9-12,15H,2-8,13-14,21H2,1H3,(H,22,23,24)