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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-pentyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-pentyl-benzothiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-pentyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-benzothiophene-2-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-3-5-9-13-25(21(28)17-14-15-10-7-8-11-16(15)30-17)18-19(23)26(12-6-4-2)22(29)24-20(18)27/h7-8,10-11,14H,3-6,9,12-13,23H2,1-2H3,(H,24,27,29)