2-[(6-azanyl-4-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[(6-amino-4-keto-5-phenyl-1H-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c21-18-17(13-4-2-1-3-5-13)19(26)24-20(23-18)29-10-16(25)22-9-12-6-7-14-15(8-12)28-11-27-14/h1-8H,9-11H2,(H,22,25)(H3,21,23,24,26)