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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-amino-2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-amino-2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-amino-2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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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=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H17N5O3S2/c19-15-14(21-16(25)12-7-4-8-27-12)17(26)23-18(22-15)28-10-13(24)20-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,24)(H,21,25)(H3,19,22,23,26)