5-azanyl-2-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-azanyl-2-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one Openeye Name: 5-amino-2-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one CAS Name: 5-amino-2-[3-[3-(1-azocanylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-amino-2-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one Traditional Name: 5-amino-2-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC2=CC(=CC=C2)OCCCNC3=NC=C(C(=O)N3)N

Isomeric SMILES

C1CCCN(CCC1)CC2=CC(=CC=C2)OCCCNC3=NC=C(C(=O)N3)N

InChI

InChI=1S/C21H31N5O2/c22-19-15-24-21(25-20(19)27)23-10-7-13-28-18-9-6-8-17(14-18)16-26-11-4-2-1-3-5-12-26/h6,8-9,14-15H,1-5,7,10-13,16,22H2,(H2,23,24,25,27)