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

Systemtic Name: 6-(azepan-1-yl)-N4-(4-ethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(azepan-1-yl)-N4-(4-ethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-(1-azepanyl)-N4-(4-ethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(azepan-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C18H25N5 MolecularWeight: 311.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCCCCC3

InChI

InChI=1S/C18H25N5/c1-2-14-7-9-15(10-8-14)22-17-16(19)18(21-13-20-17)23-11-5-3-4-6-12-23/h7-10,13H,2-6,11-12,19H2,1H3,(H,20,21,22)