4-(azepan-1-yl)-3-[(E)-2-methylhept-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[(E)-2-methylhept-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[(E)-2-methylhept-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[(E)-2-methylhept-2-enyl]-N-(3-pyrrolidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[(E)-2-methylhept-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[(E)-2-methylhept-2-enyl]-4H-pyrimidin-2-yl]-pyrrolidin-3-yl-amine Formula: C22H39N5 MolecularWeight: 373.57856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(C)CN1C(C=CN=C1NC2CCNC2)N3CCCCCC3

Isomeric SMILES

CCCC/C=C(\C)/CN1C(C=CN=C1NC2CCNC2)N3CCCCCC3

InChI

InChI=1S/C22H39N5/c1-3-4-7-10-19(2)18-27-21(26-15-8-5-6-9-16-26)12-14-24-22(27)25-20-11-13-23-17-20/h10,12,14,20-21,23H,3-9,11,13,15-18H2,1-2H3,(H,24,25)/b19-10+