4-azanyl-6-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-6-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-6-methyl-3-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-13-17(25)23(19)18(21-20-13)26-12-16(24)22-9-7-15(8-10-22)11-14-5-3-2-4-6-14/h2-6,15H,7-12,19H2,1H3