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

Systemtic Name: 5-[4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methyl-pentan-2-ol Openeye Name: 5-[4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methyl-pentan-2-ol CAS Name: 5-[4-[[4-(1-azepanyl)-2-(3-pyrrolidinylamino)-4H-pyrimidin-3-yl]methyl]-1-cyclohexenyl]-2-methyl-2-pentanol IUPAC Name: 5-[4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methylpentan-2-ol Traditional Name: 5-[4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]cyclohexen-1-yl]-2-methyl-pentan-2-ol Formula: C27H47N5O MolecularWeight: 457.69498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CCC(CC1)CN2C(C=CN=C2NC3CCNC3)N4CCCCCC4)O

Isomeric SMILES

CC(C)(CCCC1=CCC(CC1)CN2C(C=CN=C2NC3CCNC3)N4CCCCCC4)O

InChI

InChI=1S/C27H47N5O/c1-27(2,33)15-7-8-22-9-11-23(12-10-22)21-32-25(31-18-5-3-4-6-19-31)14-17-29-26(32)30-24-13-16-28-20-24/h9,14,17,23-25,28,33H,3-8,10-13,15-16,18-21H2,1-2H3,(H,29,30)