5-azanyl-2-[2-[[4-(piperidin-1-ylmethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-azanyl-2-[2-[[4-(piperidin-1-ylmethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-amino-2-[2-[[4-(1-piperidylmethyl)-2-pyridyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-amino-2-[2-[[4-(1-piperidinylmethyl)-2-pyridinyl]methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-amino-2-[2-[[4-(piperidin-1-ylmethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-amino-2-[2-[[4-(piperidinomethyl)-2-pyridyl]methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C18H26N6OS MolecularWeight: 374.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)CSCCNC3=NC=C(C(=O)N3)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)CSCCNC3=NC=C(C(=O)N3)N

InChI

InChI=1S/C18H26N6OS/c19-16-11-22-18(23-17(16)25)21-6-9-26-13-15-10-14(4-5-20-15)12-24-7-2-1-3-8-24/h4-5,10-11H,1-3,6-9,12-13,19H2,(H2,21,22,23,25)