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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[[4-(diethylamino)phenyl]methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidino]methyl]phenyl]-diethyl-amine Formula: C25H38N6 MolecularWeight: 422.60942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C25H38N6/c1-3-30(4-2)23-11-9-21(10-12-23)19-29-18-14-22(20-29)27-25-26-15-13-24(28-25)31-16-7-5-6-8-17-31/h9-13,15,22H,3-8,14,16-20H2,1-2H3,(H,26,27,28)