1-[6-methyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-benzyl-4-(benzylamino)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[1-benzyl-4-(benzylamino)-6-methyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-benzyl-4-(benzylamino)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H21N3OS/c1-15-19(16(2)25)20(22-13-17-9-5-3-6-10-17)23-21(26)24(15)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,22,23,26)