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

Systemtic Name: 4-azanyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]pyrimidine-5-carbonitrile Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6OS/c1-13(26-18-21-12-14(11-19)16(20)22-18)17(25)24-9-7-23(8-10-24)15-5-3-2-4-6-15/h2-6,12-13H,7-10H2,1H3,(H2,20,21,22)