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

Systemtic Name: 6-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-benzylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-benzylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(4-benzylpiperazino)-1H-pyrimidin-4-one Formula: C18H21N7OS2 MolecularWeight: 415.53564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NN=C(S4)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NN=C(S4)N

InChI

InChI=1S/C18H21N7OS2/c19-16-22-23-18(28-16)27-12-14-10-15(26)21-17(20-14)25-8-6-24(7-9-25)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,19,22)(H,20,21,26)