N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-fluoranyl-N-pentyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-fluoranyl-N-pentyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-fluoro-N-pentyl-benzothiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-fluoro-N-pentyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-pentyl-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-4-fluoro-benzothiophene-2-carboxamide Formula: C22H27FN4O3S MolecularWeight: 446.538183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C22H27FN4O3S/c1-3-5-7-12-26(18-19(24)27(11-6-4-2)22(30)25-20(18)28)21(29)17-13-14-15(23)9-8-10-16(14)31-17/h8-10,13H,3-7,11-12,24H2,1-2H3,(H,25,28,30)