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

Systemtic Name: 5-azanyl-2-[2-[[5-(pyrrolidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-amino-2-[2-[[5-(pyrrolidin-1-ylmethyl)-3-thienyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-amino-2-[2-[[5-(1-pyrrolidinylmethyl)-3-thiophenyl]methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-amino-2-[2-[[5-(pyrrolidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-amino-2-[2-[[5-(pyrrolidinomethyl)-3-thienyl]methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C16H23N5OS2 MolecularWeight: 365.51672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CS2)CSCCNC3=NC=C(C(=O)N3)N

Isomeric SMILES

C1CCN(C1)CC2=CC(=CS2)CSCCNC3=NC=C(C(=O)N3)N

InChI

InChI=1S/C16H23N5OS2/c17-14-8-19-16(20-15(14)22)18-3-6-23-10-12-7-13(24-11-12)9-21-4-1-2-5-21/h7-8,11H,1-6,9-10,17H2,(H2,18,19,20,22)