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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C24H26N6O4S MolecularWeight: 494.56604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O4S/c1-34-18-9-7-16(8-10-18)22(32)26-20-21(25)27-24(28-23(20)33)35-15-19(31)30-13-11-29(12-14-30)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,26,32)(H3,25,27,28,33)