2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C17H20N6OS2 MolecularWeight: 388.5103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=NN=C(S3)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=NN=C(S3)N

InChI

InChI=1S/C17H20N6OS2/c18-16-23-22-14(26-16)11-25-9-8-19-17-20-10-13(15(24)21-17)7-6-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,18,23)(H2,19,20,21,24)