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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-fluoranyl-N-[(2-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzothiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-fluoro-N-o-anisyl-benzothiophene-2-carboxamide Formula: C25H25FN4O4S MolecularWeight: 496.553803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C3=CC4=C(C=CC=C4S3)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C3=CC4=C(C=CC=C4S3)F)N

InChI

InChI=1S/C25H25FN4O4S/c1-3-4-12-29-22(27)21(23(31)28-25(29)33)30(14-15-8-5-6-10-18(15)34-2)24(32)20-13-16-17(26)9-7-11-19(16)35-20/h5-11,13H,3-4,12,14,27H2,1-2H3,(H,28,31,33)