N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-chloranyl-N-pentyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-chloranyl-N-pentyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-chloro-N-pentyl-benzothiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-chloro-N-pentyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-pentyl-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-3-chloro-benzothiophene-2-carboxamide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H27ClN4O3S/c1-3-5-9-13-26(17-19(24)27(12-6-4-2)22(30)25-20(17)28)21(29)18-16(23)14-10-7-8-11-15(14)31-18/h7-8,10-11H,3-6,9,12-13,24H2,1-2H3,(H,25,28,30)