4-(azepan-4-yl)-5-(azetidin-3-yl)-6-[(4-prop-2-enoxyphenyl)methyl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-4-yl)-5-(azetidin-3-yl)-6-[(4-prop-2-enoxyphenyl)methyl]pyrimidin-2-amine Openeye Name: 4-[(4-allyloxyphenyl)methyl]-6-(azepan-4-yl)-5-(azetidin-3-yl)pyrimidin-2-amine CAS Name: 4-(4-azepanyl)-5-(3-azetidinyl)-6-[(4-prop-2-enoxyphenyl)methyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-4-yl)-5-(azetidin-3-yl)-6-[(4-prop-2-enoxyphenyl)methyl]pyrimidin-2-amine Traditional Name: [4-(4-allyloxybenzyl)-6-(azepan-4-yl)-5-(azetidin-3-yl)pyrimidin-2-yl]amine Formula: C23H31N5O MolecularWeight: 393.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)CC2=NC(=NC(=C2C3CNC3)C4CCCNCC4)N

Isomeric SMILES

C=CCOC1=CC=C(C=C1)CC2=NC(=NC(=C2C3CNC3)C4CCCNCC4)N

InChI

InChI=1S/C23H31N5O/c1-2-12-29-19-7-5-16(6-8-19)13-20-21(18-14-26-15-18)22(28-23(24)27-20)17-4-3-10-25-11-9-17/h2,5-8,17-18,25-26H,1,3-4,9-15H2,(H2,24,27,28)