N-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[4-(2-amino-2-oxoethyl)phenyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)phenyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)CC(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)CC(=O)N

InChI

InChI=1S/C18H22N4O2S/c1-11-15(12(2)21-18(20-11)25-3)8-9-17(24)22-14-6-4-13(5-7-14)10-16(19)23/h4-7H,8-10H2,1-3H3,(H2,19,23)(H,22,24)