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4-(azepan-1-yl)-N-(1-oct-2-ynylpyrrolidin-3-yl)pyrimidin-2-amine

4-(azepan-1-yl)-N-(1-oct-2-ynylpyrrolidin-3-yl)pyrimidin-2-amine

Systemtic Name:4-(azepan-1-yl)-N-(1-oct-2-ynylpyrrolidin-3-yl)pyrimidin-2-amine
Openeye Name:4-(azepan-1-yl)-N-(1-oct-2-ynylpyrrolidin-3-yl)pyrimidin-2-amine
CAS Name:4-(1-azepanyl)-N-(1-oct-2-ynyl-3-pyrrolidinyl)-2-pyrimidinamine
IUPAC Name:4-(azepan-1-yl)-N-(1-oct-2-ynylpyrrolidin-3-yl)pyrimidin-2-amine
Traditional Name:[4-(azepan-1-yl)pyrimidin-2-yl]-(1-oct-2-ynylpyrrolidin-3-yl)amine
Formula: C22H35N5
MolecularWeight: 369.5468
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3


Isomeric SMILES

CCCCCC#CCN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3


InChI

InChI=1S/C22H35N5/c1-2-3-4-5-6-9-15-26-18-13-20(19-26)24-22-23-14-12-21(25-22)27-16-10-7-8-11-17-27/h12,14,20H,2-5,7-8,10-11,13,15-19H2,1H3,(H,23,24,25)


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