4-(azepan-1-yl)-N-[1-[[4-(diethylamino)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[[4-(diethylamino)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[[4-(diethylamino)phenyl]methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[[4-(diethylamino)phenyl]methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[[4-(diethylamino)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]methyl]phenyl]-diethyl-amine Formula: C26H40N6 MolecularWeight: 436.636

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C26H40N6/c1-3-31(4-2)24-13-11-22(12-14-24)20-30-17-9-10-23(21-30)28-26-27-16-15-25(29-26)32-18-7-5-6-8-19-32/h11-16,23H,3-10,17-21H2,1-2H3,(H,27,28,29)