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

Systemtic Name: 5-azanyl-2-[3-[3-(piperidin-1-ylmethylsulfanyl)phenoxy]propylamino]-1H-pyrimidin-6-one Openeye Name: 5-amino-2-[3-[3-(1-piperidylmethylsulfanyl)phenoxy]propylamino]-1H-pyrimidin-6-one CAS Name: 5-amino-2-[3-[3-(1-piperidinylmethylthio)phenoxy]propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-amino-2-[3-[3-(piperidin-1-ylmethylsulfanyl)phenoxy]propylamino]-1H-pyrimidin-6-one Traditional Name: 5-amino-2-[3-[3-(piperidinomethylthio)phenoxy]propylamino]-1H-pyrimidin-6-one Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CSC2=CC=CC(=C2)OCCCNC3=NC=C(C(=O)N3)N

Isomeric SMILES

C1CCN(CC1)CSC2=CC=CC(=C2)OCCCNC3=NC=C(C(=O)N3)N

InChI

InChI=1S/C19H27N5O2S/c20-17-13-22-19(23-18(17)25)21-8-5-11-26-15-6-4-7-16(12-15)27-14-24-9-2-1-3-10-24/h4,6-7,12-13H,1-3,5,8-11,14,20H2,(H2,21,22,23,25)