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

Systemtic Name: 5-azanyl-2-[2-[[4-methyl-5-(piperidin-1-ylmethyl)thiophen-2-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-amino-2-[2-[[4-methyl-5-(1-piperidylmethyl)-2-thienyl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-amino-2-[2-[[4-methyl-5-(1-piperidinylmethyl)-2-thiophenyl]methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-amino-2-[2-[[4-methyl-5-(piperidin-1-ylmethyl)thiophen-2-yl]methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-amino-2-[2-[[4-methyl-5-(piperidinomethyl)-2-thienyl]methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C18H27N5OS2 MolecularWeight: 393.56988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)CSCCNC2=NC=C(C(=O)N2)N)CN3CCCCC3

Isomeric SMILES

CC1=C(SC(=C1)CSCCNC2=NC=C(C(=O)N2)N)CN3CCCCC3

InChI

InChI=1S/C18H27N5OS2/c1-13-9-14(26-16(13)11-23-6-3-2-4-7-23)12-25-8-5-20-18-21-10-15(19)17(24)22-18/h9-10H,2-8,11-12,19H2,1H3,(H2,20,21,22,24)