5-azanyl-2-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-azanyl-2-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-amino-2-[2-[[5-(1-piperidylmethyl)-3-thienyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-amino-2-[2-[[5-(1-piperidinylmethyl)-3-thiophenyl]methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-amino-2-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-amino-2-[2-[[5-(piperidinomethyl)-3-thienyl]methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C17H25N5OS2 MolecularWeight: 379.5433

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CS2)CSCCNC3=NC=C(C(=O)N3)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CS2)CSCCNC3=NC=C(C(=O)N3)N

InChI

InChI=1S/C17H25N5OS2/c18-15-9-20-17(21-16(15)23)19-4-7-24-11-13-8-14(25-12-13)10-22-5-2-1-3-6-22/h8-9,12H,1-7,10-11,18H2,(H2,19,20,21,23)