4-[4-(aminomethyl)cyclohexyl]-6-(azepan-4-yl)-5-piperidin-3-yl-pyrimidin-2-amine

Systemtic Name: 4-[4-(aminomethyl)cyclohexyl]-6-(azepan-4-yl)-5-piperidin-3-yl-pyrimidin-2-amine Openeye Name: 4-[4-(aminomethyl)cyclohexyl]-6-(azepan-4-yl)-5-(3-piperidyl)pyrimidin-2-amine CAS Name: 4-[4-(aminomethyl)cyclohexyl]-6-(4-azepanyl)-5-(3-piperidinyl)-2-pyrimidinamine IUPAC Name: 4-[4-(aminomethyl)cyclohexyl]-6-(azepan-4-yl)-5-piperidin-3-ylpyrimidin-2-amine Traditional Name: [4-[2-amino-6-(azepan-4-yl)-5-(3-piperidyl)pyrimidin-4-yl]cyclohexyl]methylamine Formula: C22H38N6 MolecularWeight: 386.57732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=NC(=NC(=C2C3CCCNC3)C4CCC(CC4)CN)N

Isomeric SMILES

C1CC(CCNC1)C2=NC(=NC(=C2C3CCCNC3)C4CCC(CC4)CN)N

InChI

InChI=1S/C22H38N6/c23-13-15-5-7-17(8-6-15)21-19(18-4-2-11-26-14-18)20(27-22(24)28-21)16-3-1-10-25-12-9-16/h15-18,25-26H,1-14,23H2,(H2,24,27,28)