N-[2-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]ethanethioamide

Systemtic Name: N-[2-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]ethanethioamide Openeye Name: N-[2-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]thioacetamide CAS Name: N-[2-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]ethanethioamide IUPAC Name: N-[2-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]ethanethioamide Traditional Name: N-[2-[(5,6-dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]thioacetamide Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=NC(=N2)C3=CC=CC=C3)NCCNC(=S)C)C

Isomeric SMILES

CC1=C(NC2=C1C(=NC(=N2)C3=CC=CC=C3)NCCNC(=S)C)C

InChI

InChI=1S/C18H21N5S/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)