6-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(4-phenylpiperazino)-1H-pyrimidin-4-one Formula: C17H19N7OS2 MolecularWeight: 401.50906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NN=C(S4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NN=C(S4)N

InChI

InChI=1S/C17H19N7OS2/c18-15-21-22-17(27-15)26-11-12-10-14(25)20-16(19-12)24-8-6-23(7-9-24)13-4-2-1-3-5-13/h1-5,10H,6-9,11H2,(H2,18,21)(H,19,20,25)