N-(3,4-dimethylphenyl)-1-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-methyl-6-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-methyl-6-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimidine-5-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-6-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1-methyl-pyrimidine-5-carboxamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N5O3S/c1-18-9-10-20(15-19(18)2)28-24(33)22-16-27-26(29(3)25(22)34)35-17-23(32)31-13-11-30(12-14-31)21-7-5-4-6-8-21/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,33)