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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(propylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(propylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H21N5O3S/c1-3-8-19-12(23)9-26-17-21-14(18)13(16(25)22-17)20-15(24)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,19,23)(H,20,24)(H3,18,21,22,25)