N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)phenyl]-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[4-(4-ethylpiperazino)phenyl]-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(NC(=NC3=O)SC)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(NC(=NC3=O)SC)C

InChI

InChI=1S/C21H29N5O2S/c1-4-25-11-13-26(14-12-25)17-7-5-16(6-8-17)23-19(27)10-9-18-15(2)22-21(29-3)24-20(18)28/h5-8H,4,9-14H2,1-3H3,(H,23,27)(H,22,24,28)