2-methyl-4-(4-methylpiperazin-1-yl)-1-(phenylmethyl)-6-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-1-(phenylmethyl)-6-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)-6-thioxo-pyrimidine-5-carbonitrile CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-1-(phenylmethyl)-6-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)-6-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-methyl-4-(4-methylpiperazino)-6-thioxo-pyrimidine-5-carbonitrile Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=S)N1CC2=CC=CC=C2)C#N)N3CCN(CC3)C

Isomeric SMILES

CC1=NC(=C(C(=S)N1CC2=CC=CC=C2)C#N)N3CCN(CC3)C

InChI

InChI=1S/C18H21N5S/c1-14-20-17(22-10-8-21(2)9-11-22)16(12-19)18(24)23(14)13-15-6-4-3-5-7-15/h3-7H,8-11,13H2,1-2H3