1-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-4-(4-phenylpiperazin-1-yl)-6-thioxo-pyrimidine-5-carbonitrile CAS Name: 1-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-6-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-benzyl-4-(4-phenylpiperazino)-6-thioxo-pyrimidine-5-carbonitrile Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=S)N(C=N3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=S)N(C=N3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H21N5S/c23-15-20-21(24-17-27(22(20)28)16-18-7-3-1-4-8-18)26-13-11-25(12-14-26)19-9-5-2-6-10-19/h1-10,17H,11-14,16H2