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

Systemtic Name: 4-azanyl-2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-benzhydrylpiperazino)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C24H24N6OS/c25-15-20-16-27-24(28-23(20)26)32-17-21(31)29-11-13-30(14-12-29)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,16,22H,11-14,17H2,(H2,26,27,28)