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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-chloranyl-N-ethyl-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-chloro-N-ethyl-benzothiophene-2-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-chloro-N-ethyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-chloro-N-ethyl-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-chloro-N-ethyl-benzothiophene-2-carboxamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H19ClN4O3S/c1-2-26(21(29)18-16(23)14-10-6-7-11-15(14)31-18)17-19(24)27(22(30)25-20(17)28)12-13-8-4-3-5-9-13/h3-11H,2,12,24H2,1H3,(H,25,28,30)