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

Systemtic Name: N-[6-azanyl-1-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]-2-methyl-2-oxidanyl-propanamide Openeye Name: N-[6-amino-1-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-4-oxo-2-thioxo-pyrimidin-5-yl]-2-hydroxy-2-methyl-propanamide CAS Name: N-[6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-5-pyrimidinyl]-2-hydroxy-2-methylpropanamide IUPAC Name: N-[6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]-2-hydroxy-2-methylpropanamide Traditional Name: N-[6-amino-1-[3-(cyclopentoxy)-4-methoxy-benzyl]-4-keto-2-thioxo-pyrimidin-5-yl]-2-hydroxy-2-methyl-propionamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-21(2,28)19(27)23-16-17(22)25(20(31)24-18(16)26)11-12-8-9-14(29-3)15(10-12)30-13-6-4-5-7-13/h8-10,13,28H,4-7,11,22H2,1-3H3,(H,23,27)(H,24,26,31)