N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C18H15N5O5S2 MolecularWeight: 445.4722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CS4

InChI

InChI=1S/C18H15N5O5S2/c19-15-14(21-16(25)12-2-1-5-29-12)17(26)23-18(22-15)30-7-13(24)20-9-3-4-10-11(6-9)28-8-27-10/h1-6H,7-8H2,(H,20,24)(H,21,25)(H3,19,22,23,26)