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

Systemtic Name: 5-azanyl-2-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one Openeye Name: 5-amino-2-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one CAS Name: 5-amino-2-[3-[3-(1-azepanylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-amino-2-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one Traditional Name: 5-amino-2-[3-[3-(azepan-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC=C(C(=O)N3)N

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC=C(C(=O)N3)N

InChI

InChI=1S/C20H29N5O2/c21-18-14-23-20(24-19(18)26)22-9-6-12-27-17-8-5-7-16(13-17)15-25-10-3-1-2-4-11-25/h5,7-8,13-14H,1-4,6,9-12,15,21H2,(H2,22,23,24,26)