4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[4-(1-azepanyl)-2-(3-pyrrolidinylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butylphenol Traditional Name: 4-[[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butyl-phenol Formula: C29H47N5O MolecularWeight: 481.71638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(C=CN=C2NC3CCNC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(C=CN=C2NC3CCNC3)N4CCCCCC4

InChI

InChI=1S/C29H47N5O/c1-28(2,3)23-17-21(18-24(26(23)35)29(4,5)6)20-34-25(33-15-9-7-8-10-16-33)12-14-31-27(34)32-22-11-13-30-19-22/h12,14,17-18,22,25,30,35H,7-11,13,15-16,19-20H2,1-6H3,(H,31,32)