4-azanyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carbonitrile Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H22N6OS/c1-14(27-19-22-12-16(11-20)17(21)23-19)18(26)25-9-7-24(8-10-25)13-15-5-3-2-4-6-15/h2-6,12,14H,7-10,13H2,1H3,(H2,21,22,23)