5-[4-[[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methyl-pentan-2-ol

Systemtic Name: 5-[4-[[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methyl-pentan-2-ol Openeye Name: 5-[4-[[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methyl-pentan-2-ol CAS Name: 5-[4-[[4-(1-azepanyl)-2-(3-piperidinylamino)-4H-pyrimidin-3-yl]methyl]-1-cyclohexenyl]-2-methyl-2-pentanol IUPAC Name: 5-[4-[[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methylpentan-2-ol Traditional Name: 5-[4-[[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methyl-pentan-2-ol Formula: C28H49N5O MolecularWeight: 471.72156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CCC(CC1)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4)O

Isomeric SMILES

CC(C)(CCCC1=CCC(CC1)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4)O

InChI

InChI=1S/C28H49N5O/c1-28(2,34)16-7-9-23-11-13-24(14-12-23)22-33-26(32-19-5-3-4-6-20-32)15-18-30-27(33)31-25-10-8-17-29-21-25/h11,15,18,24-26,29,34H,3-10,12-14,16-17,19-22H2,1-2H3,(H,30,31)