2-[2-[[5-(dimethylaminomethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-3-thienyl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(dimethylaminomethyl)-3-thiophenyl]methylthio]ethylamino]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)thiophen-3-yl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-3-thienyl]methylthio]ethylamino]-5-nitro-1H-pyrimidin-6-one Formula: C14H19N5O3S2 MolecularWeight: 369.46236

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CS1)CSCCNC2=NC=C(C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC(=CS1)CSCCNC2=NC=C(C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O3S2/c1-18(2)7-11-5-10(9-24-11)8-23-4-3-15-14-16-6-12(19(21)22)13(20)17-14/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,16,17,20)