3-[[4-(3-azanyl-3-methyl-butoxy)phenyl]methyl]-4-(azepan-1-yl)-N-methyl-N-pyrrolidin-2-yl-4H-pyrimidin-2-amine

Systemtic Name: 3-[[4-(3-azanyl-3-methyl-butoxy)phenyl]methyl]-4-(azepan-1-yl)-N-methyl-N-pyrrolidin-2-yl-4H-pyrimidin-2-amine Openeye Name: 3-[[4-(3-amino-3-methyl-butoxy)phenyl]methyl]-4-(azepan-1-yl)-N-methyl-N-pyrrolidin-2-yl-4H-pyrimidin-2-amine CAS Name: 3-[[4-(3-amino-3-methylbutoxy)phenyl]methyl]-4-(1-azepanyl)-N-methyl-N-(2-pyrrolidinyl)-4H-pyrimidin-2-amine IUPAC Name: 3-[[4-(3-amino-3-methylbutoxy)phenyl]methyl]-4-(azepan-1-yl)-N-methyl-N-pyrrolidin-2-yl-4H-pyrimidin-2-amine Traditional Name: [3-[4-(3-amino-3-methyl-butoxy)benzyl]-4-(azepan-1-yl)-4H-pyrimidin-2-yl]-methyl-pyrrolidin-2-yl-amine Formula: C27H44N6O MolecularWeight: 468.67786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=CC=C(C=C1)CN2C(C=CN=C2N(C)C3CCCN3)N4CCCCCC4)N

Isomeric SMILES

CC(C)(CCOC1=CC=C(C=C1)CN2C(C=CN=C2N(C)C3CCCN3)N4CCCCCC4)N

InChI

InChI=1S/C27H44N6O/c1-27(2,28)15-20-34-23-12-10-22(11-13-23)21-33-25(32-18-6-4-5-7-19-32)14-17-30-26(33)31(3)24-9-8-16-29-24/h10-14,17,24-25,29H,4-9,15-16,18-21,28H2,1-3H3