2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-[phenyl(propan-2-yl)amino]phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[4-[phenyl(propan-2-yl)amino]phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(N-isopropylanilino)phenyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[4-(N-propan-2-ylanilino)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(N-propan-2-ylanilino)phenyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[4-(N-isopropylanilino)phenyl]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C21H23N5O2S/c1-14(2)26(16-6-4-3-5-7-16)17-10-8-15(9-11-17)23-20(28)13-29-21-24-18(22)12-19(27)25-21/h3-12,14H,13H2,1-2H3,(H,23,28)(H3,22,24,25,27)