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

Systemtic Name: 4-[[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[4-(1-azepanyl)-2-(3-piperidinylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butylphenol Traditional Name: 4-[[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]methyl]-2,6-ditert-butyl-phenol Formula: C30H49N5O MolecularWeight: 495.74296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

InChI

InChI=1S/C30H49N5O/c1-29(2,3)24-18-22(19-25(27(24)36)30(4,5)6)21-35-26(34-16-9-7-8-10-17-34)13-15-32-28(35)33-23-12-11-14-31-20-23/h13,15,18-19,23,26,31,36H,7-12,14,16-17,20-21H2,1-6H3,(H,32,33)