N-[6-azanyl-1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]-2-[(4-fluorophenyl)methoxy]-2-methyl-propanamide

Systemtic Name: N-[6-azanyl-1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]-2-[(4-fluorophenyl)methoxy]-2-methyl-propanamide Openeye Name: N-[6-amino-1-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-4-oxo-2-thioxo-pyrimidin-5-yl]-2-[(4-fluorophenyl)methoxy]-2-methyl-propanamide CAS Name: N-[6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-5-pyrimidinyl]-2-[(4-fluorophenyl)methoxy]-2-methylpropanamide IUPAC Name: N-[6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]-2-[(4-fluorophenyl)methoxy]-2-methylpropanamide Traditional Name: N-[6-amino-1-[3-(cyclopentoxy)-4-methoxy-benzyl]-4-keto-2-thioxo-pyrimidin-5-yl]-2-(4-fluorobenzyl)oxy-2-methyl-propionamide Formula: C28H33FN4O5S MolecularWeight: 556.648823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=C(N(C(=S)NC1=O)CC2=CC(=C(C=C2)OC)OC3CCCC3)N)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C(=O)NC1=C(N(C(=S)NC1=O)CC2=CC(=C(C=C2)OC)OC3CCCC3)N)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H33FN4O5S/c1-28(2,37-16-17-8-11-19(29)12-9-17)26(35)31-23-24(30)33(27(39)32-25(23)34)15-18-10-13-21(36-3)22(14-18)38-20-6-4-5-7-20/h8-14,20H,4-7,15-16,30H2,1-3H3,(H,31,35)(H,32,34,39)