N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N5O3S/c21-17-16(23-18(27)14-9-5-2-6-10-14)19(28)25-20(24-17)29-12-15(26)22-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,22,26)(H,23,27)(H3,21,24,25,28)