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

Systemtic Name: 6-azanyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c19-15-11-16(23)21-18(20-15)25-12-17(24)22-8-6-14(7-9-22)10-13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H3,19,20,21,23)