6-(azepan-1-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(azepan-1-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-(azepan-1-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-(1-azepanyl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-(azepan-1-yl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C18H25N5 MolecularWeight: 311.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCCCCC3)C

InChI

InChI=1S/C18H25N5/c1-13-9-14(2)11-15(10-13)22-17-16(19)18(21-12-20-17)23-7-5-3-4-6-8-23/h9-12H,3-8,19H2,1-2H3,(H,20,21,22)