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

Systemtic Name: N-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-butyl-carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-butylamino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylcarbamothioyl]cyclopropanecarboxamide Traditional Name: N-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-butyl-thiocarbamoyl]cyclopropanecarboxamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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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)C3CC3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3CC3

InChI

InChI=1S/C20H25N5O3S/c1-2-3-11-24(20(29)23-17(26)14-9-10-14)15-16(21)25(19(28)22-18(15)27)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12,21H2,1H3,(H,22,27,28)(H,23,26,29)