N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C25H28N6O5S MolecularWeight: 524.59202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)N)OC

InChI

InChI=1S/C25H28N6O5S/c1-35-18-9-8-16(14-19(18)36-2)23(33)27-21-22(26)28-25(29-24(21)34)37-15-20(32)31-12-10-30(11-13-31)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,27,33)(H3,26,28,29,34)