N-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-butyl-carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-butyl-carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-butylamino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylcarbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-butyl-thiocarbamoyl]thiophene-2-carboxamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N5O3S2/c1-2-3-11-25(21(30)24-18(27)15-10-7-12-31-15)16-17(22)26(20(29)23-19(16)28)13-14-8-5-4-6-9-14/h4-10,12H,2-3,11,13,22H2,1H3,(H,23,28,29)(H,24,27,30)