[4-azanyl-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-phenyl-methanone

Systemtic Name: [4-azanyl-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-phenyl-methanone Openeye Name: [4-amino-3-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)phenyl]-phenyl-methanone CAS Name: [4-amino-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-phenylmethanone IUPAC Name: [4-amino-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-phenylmethanone Traditional Name: [4-amino-3-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)phenyl]-phenyl-methanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N)(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N)(C)C

InChI

InChI=1S/C20H21N3OS/c1-13-12-20(2,3)22-19(25)23(13)17-11-15(9-10-16(17)21)18(24)14-7-5-4-6-8-14/h4-12H,21H2,1-3H3,(H,22,25)