2,6-ditert-butyl-4-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol CAS Name: 4-[[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]-2,6-ditert-butylphenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazino]methyl]phenol Formula: C31H48N6O MolecularWeight: 520.75242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)N5CCCC5

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)N5CCCC5

InChI

InChI=1S/C31H48N6O/c1-30(2,3)24-19-23(20-25(28(24)38)31(4,5)6)22-34-15-17-36(18-16-34)27-21-26(35-11-7-8-12-35)32-29(33-27)37-13-9-10-14-37/h19-21,38H,7-18,22H2,1-6H3