5,6-bis(azanyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)N

InChI

InChI=1S/C18H23N5O2S/c19-15-16(20)21-18(22-17(15)25)26-11-14(24)23-8-6-13(7-9-23)10-12-4-2-1-3-5-12/h1-5,13H,6-11,19H2,(H3,20,21,22,25)