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

Systemtic Name: N-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-methyl-carbamothioyl]benzamide Openeye Name: N-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-methyl-carbamothioyl]benzamide CAS Name: N-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylcarbamothioyl]benzamide Traditional Name: N-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-methyl-thiocarbamoyl]benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c1-24(20(29)23-17(26)14-10-6-3-7-11-14)15-16(21)25(19(28)22-18(15)27)12-13-8-4-2-5-9-13/h2-11H,12,21H2,1H3,(H,22,27,28)(H,23,26,29)